ChemSpider 2D Image | ({[2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid | C10H17N7O11S2

({[2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid

  • Molecular FormulaC10H17N7O11S2
  • Average mass475.412 Da
  • Monoisotopic mass475.042755 Da
  • ChemSpider ID26502446

More details:

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

({[2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid [ACD/IUPAC Name]
({[2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamidsäure [German] [ACD/IUPAC Name]
Acide ({[2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tétrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]méthoxy}carbonyl)sulfamique [French] [ACD/IUPAC Name]
Carbamic acid, N-sulfo-, [2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl ester [ACD/Index Name]
[10,10-dihydroxy-2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
[10,10-dihydroxy-2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydro-1H-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
80226-62-6 [RN]
844-51-9 [RN]
84505-77-1 [RN]
C20020
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.962
Molar Refractivity: 88.6±0.5 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.72
ACD/LogD (pH 5.5): -8.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 176.0±7.0 dyne/cm
Molar Volume: 181.8±7.0 cm3

Click to predict properties on the Chemicalize site


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