ChemSpider 2D Image | (4aR,5aR,11aR,12aS)-8-Amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione 2-oxide | C10H12N5O7P

(4aR,5aR,11aR,12aS)-8-Amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione 2-oxide

  • Molecular FormulaC10H12N5O7P
  • Average mass345.205 Da
  • Monoisotopic mass345.047424 Da
  • ChemSpider ID25056925
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2r,4ar,5ar,11ar,12as)-8-Amino-2-Hydroxy-4a,5a,9,11,11a,12a-Hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-G]pteridine-10,12(4h,6h)-Dione 2-Oxide
(4aR,5aR,11aR,12aS) 2-Oxyde de 8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]ptéridine-10,12(4H,6H)-dione [French] [ACD/IUPAC Name]
(4aR,5aR,11aR,12aS)-8-Amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridin-10,12(4H,6H)-dion-2-oxid [German] [ACD/IUPAC Name]
(4aR,5aR,11aR,12aS)-8-Amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione 2-oxide [ACD/IUPAC Name]
1,3,2-Dioxaphosphorino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione, 8-amino-4a,5a,9,11,11a,12a-hexahydro-2-hydroxy-, 2-oxide, (4aR,5aR,11aR,12aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.124
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 183 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 187.8±7.0 dyne/cm
Molar Volume: 124.2±7.0 cm3

Click to predict properties on the Chemicalize site






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