9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy[[hydroxy[(3S)-3-hydroxy-4-[[3-[[2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]ph osphinyl]-3-O-phosphono-β-D-threo-pentofuranosyl]-, ion(4-)

Molecular FormulaC₃₀H₃₈N₇O₁₈P₃S
Average mass Da
Monoisotopic mass Da
ChemSpider ID5292364

- Charge
- Double-bond stereo
- 4 of 5 defined stereocentres

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy[[hydroxy[(3S)-3-hydroxy-4-[[3-[[2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]ph osphinyl]-3-O-phosphono-β-D-threo-pentofuranosyl]-, ion(4-) [ACD/Index Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

nchembio811-comp9 [DBID]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

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Index of Refraction:
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#H bond acceptors:
#H bond donors:
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ACD/LogP:
ACD/LogD (pH 5.5):
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ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
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Polar Surface Area:
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9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy[[hydroxy[(3S)-3-hydroxy-4-[[3-[[2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]ph osphinyl]-3-O-phosphono-β-D-threo-pentofuranosyl]-, ion(4-)

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