ChemSpider 2D Image | 5'-O-[{[(3R,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)-3-pyrrolidinyl]oxy}(hydroxy)phosphoryl]-3'-O-[hydroxy(4-hydroxybutoxy)phosphory l]-2'-O-methylguanosine | C30H47N10O17P3

5'-O-[{[(3R,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)-3-pyrrolidinyl]oxy}(hydroxy)phosphoryl]-3'-O-[hydroxy(4-hydroxybutoxy)phosphory l]-2'-O-methylguanosine

  • Molecular FormulaC30H47N10O17P3
  • Average mass912.672 Da
  • Monoisotopic mass912.233337 Da
  • ChemSpider ID25057239

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

5'-O-[(S)-{[(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-D]pyrimidin-7-yl)methyl]-4-({[(S)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-O-[(R)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-O-methylguanosine
5'-O-[{[(3R,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)-3-pyrrolidinyl]oxy}(hydroxy)phosphoryl]-3'-O-[hydroxy(4-hydroxybutoxy)phosphory l]-2'-O-methylguanosin [German] [ACD/IUPAC Name]
5'-O-[{[(3R,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)-3-pyrrolidinyl]oxy}(hydroxy)phosphoryl]-3'-O-[hydroxy(4-hydroxybutoxy)phosphory l]-2'-O-methylguanosine [ACD/IUPAC Name]
5'-O-[{[(3R,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]-4-({[hydroxy(3-hydroxypropoxy)phosphoryl]oxy}méthyl)-3-pyrrolidinyl]oxy}(hydroxy)phosphoryl]-3'-O-[hydroxy(4-hydroxybutoxy)phosphory l]-2'-O-méthylguanosine [French] [ACD/IUPAC Name]
Guanosine, 5'-O-[[[(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[[[hydroxy(3-hydroxypropoxy)phosphinyl]oxy]methyl]-3-pyrrolidinyl]oxy]hydroxyphosphinyl]-3'-O-[hydroxy(4-hydroxybutoxy) phosphinyl]-2'-O-methyl- [ACD/Index Name]
DYN

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.760
Molar Refractivity: 194.8±0.5 cm3
#H bond acceptors: 27
#H bond donors: 11
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -5.06
ACD/LogD (pH 5.5): -9.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 412 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 100.4±7.0 dyne/cm
Molar Volume: 473.4±7.0 cm3

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