C11h15n5o4 adenosine, II, -o-methyl- (7ci, 8ci, 9CI, ACI)
Cas Subcriptio Number
2140-79-6
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 281,27 | - |
| Melting Point (experimentalem) | 204-206 ° C | - |
| Ferveret (praedicta) | 623,8 ± 65.0 ° C | Press: DCCLX Torr |
| Density (praedicta) | 1.84 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 13.13 ± 0.70 | Most Acidic Temp: XXV ° C |
Canonica ridet
Wif01oc (N2C = NC = 3C (= NC32 NC =) N) C (O) C1O
Isomeric smiles
O (c) [C @ h] I [C @ h] (n2c 3C = (n = c2) = c (n) n = CN3) o [@ h] (co), [@ h], 1o
INCHI
InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
Key Inchi
Fpugcisolnpp, ioslpccsa, n
II aliis nominibus hanc substantiam
II '-O-Methyladenosine (aci); Cordysinin b
Proprietatibus praesto
Scelerum
| Res | Valor | Source |
| Point liquescens | 204-206 ° C | (I) CAS |
(I) Martinez Montero, Saule; Europae Journal of Organic Chemiae (MMIX) (XIX), 3265-3271, S3265 / I-S3265 / XXIII, Caplus
Spectra praesto
I h NMR
XIII c NMR
IR
Missa
Proprietatibus praesto
Biological
Proiectus
Densitas
Lipinski
Structuram related
Scelerum
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | 1.0 | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.78 | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.97 | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.99 | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.99 | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.99 | PH IX; Temp: XXV ° C | (I) ACD |
| Property valorem condicionem fontem |
| Bioconcentration factor 1.99 pH X; Temp: XXV ° C (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Conditio | Fons |
| Koc | 1.0 | PH I; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 4.54 | PH III; Temp: XXV ° C | (I) ACD |
| Koc | 26.0 | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 51.0 | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 56.4 | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 57.0 | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | 57.1 | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | 57.1 | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | 57.0 | PH X; Temp: XXV ° C | (I) ACD |
| logd | -1.70 | PH I; Temp: XXV ° C | (I) ACD |
| logd | -1.25 | PH II; Temp: XXV ° C | (I) ACD |
| logd | -0.40 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 0,36 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 0,65 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 0,69 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 0,70 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 0,70 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 0,70 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 0,70 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 0.697 ± 0.596 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 3,7 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | DCCCLXXXVI G / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | CCCIX g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | XLV g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 7.9 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 3,9 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 3,7 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 3,7 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Missam solubility | 3,7 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 3,7 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 3,7 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 3,7 g / l | Unbuffered aqua 8 8.07; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 0.013 MOL / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3.15 mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1,10 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.16 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.028 MOL / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.014 MOL / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.013 MOL / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.013 MOL / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.013 MOL / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.013 MOL / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.013 MOL / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.013 MOL / l | Unbuffered aqua 8 8.07; Temp: XXV ° C | (I) ACD |
| Pondus | 281,27 | ||
| PKA | 13.13 ± 0.70 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 3,82 ± 0.10 | Maxime basic temp: XXV ° | (I) ACD |
| Vapor | 2.02 x 10-16 Torr | Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Conditio | Fons |
| Densitas | 1.84 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 152,5 ± 7.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Source |
| Sponte Rotatable vincula | 5 | (I) ACD |
| H acceptors | 9 | (I) ACD |
| H donos | 4 | (I) ACD |
| Res | Valor | Conditio | Fons |
| H donator / Acceptor Sum | 13 | (I) ACD | |
| logp | 0.697 ± 0.596 | Temp: XXV ° C | (I) ACD |
| Pondus | 281,27 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Source |
| Polar superficies regio | CXXIX A2 | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Conditio | Fons |
| PRAETERITUS | 623,8 ± 65.0 ° C | Press: DCCLX Torr | (I) ACD |
| Enthalpy vaporation | 97.11 ± 3.0 KJ / Mol | Press: DCCLX Torr | (I) ACD |
| Flash Point | 331.0 ± 34.3 ° F | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
I h NMR
XIII c NMR
| Codex | Aleam dicitur | Fons |
| H303 | Sit noxia, si absorbuit | Peritus curated |
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