ChemSpider 2D Image | (1R,6S,7S,8R,9R,14R,16R,23S)-19,23-Dihydroxy-16-(hydroxymethyl)-6,9-dimethyl-15,18,20,25-tetraoxa-2,4,11,13-tetraaza-19-phosphahexacyclo[20.2.1.1~14,17~.0~2,7~.0~6,9~.0~8,13~]hexacosane-3,5,10,12-tetr one 19-oxide | C20H27N4O12P

(1R,6S,7S,8R,9R,14R,16R,23S)-19,23-Dihydroxy-16-(hydroxymethyl)-6,9-dimethyl-15,18,20,25-tetraoxa-2,4,11,13-tetraaza-19-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosane-3,5,10,12-tetr one 19-oxide

  • Molecular FormulaC20H27N4O12P
  • Average mass546.422 Da
  • Monoisotopic mass546.136292 Da
  • ChemSpider ID114811215

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(1R,6S,7S,8R,9R,14R,16R,23S) 19-Oxyde de 19,23-dihydroxy-16-(hydroxyméthyl)-6,9-diméthyl-15,18,20,25-tétraoxa-2,4,11,13-tétraaza-19-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosane-3, 5,10,12-tétrone [French] [ACD/IUPAC Name]
(1R,6S,7S,8R,9R,14R,16R,23S)-19,23-Dihydroxy-16-(hydroxymethyl)-6,9-dimethyl-15,18,20,25-tetraoxa-2,4,11,13-tetraaza-19-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosan-3,5,10,12-tetro n-19-oxid [German] [ACD/IUPAC Name]
(1R,6S,7S,8R,9R,14R,16R,23S)-19,23-Dihydroxy-16-(hydroxymethyl)-6,9-dimethyl-15,18,20,25-tetraoxa-2,4,11,13-tetraaza-19-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosane-3,5,10,12-tetr one 19-oxide [ACD/IUPAC Name]
9,12-Epoxy-1,4-methano-1H,8H-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylene-13,15,16,18(14H,17H)-tetrone, decahydro-6,10-dihydroxy-3-(hydroxymethyl)-15a,15b-dimethy l-, 6-oxide, (1R,3R,10S,12R,15aS,15bR,18bR,18cS)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 116.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 1
#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: 223 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 97.3±5.0 dyne/cm
Molar Volume: 307.0±5.0 cm3

Click to predict properties on the Chemicalize site


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