ChemSpider 2D Image | (2R,4R,5S,10R,11S,13R,20R)-7,11-Dihydroxy-4-(hydroxymethyl)-20-methyl-3,6,8,26-tetraoxa-1,14,16,22-tetraaza-7-phosphapentacyclo[18.3.1.1~2,5~.1~10,13~.1~14,18~]heptacos-18(25)-ene-15,17,21,23-tetrone 7-oxide | C20H27N4O12P

(2R,4R,5S,10R,11S,13R,20R)-7,11-Dihydroxy-4-(hydroxymethyl)-20-methyl-3,6,8,26-tetraoxa-1,14,16,22-tetraaza-7-phosphapentacyclo[18.3.1.12,5.110,13.114,18]heptacos-18(25)-ene-15,17,21,23-tetrone 7-oxide

  • Molecular FormulaC20H27N4O12P
  • Average mass546.422 Da
  • Monoisotopic mass546.136292 Da
  • ChemSpider ID8545659

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4R,5S,10R,11S,13R,20R) 7-Oxyde de 7,11-dihydroxy-4-(hydroxyméthyl)-20-méthyl-3,6,8,26-tétraoxa-1,14,16,22-tétraaza-7-phosphapentacyclo[18.3.1.12,5.110,13.114,18]heptacos-18(25)-ène-15,17,21, 
23-tétrone [French] [ACD/IUPAC Name]
(2R,4R,5S,10R,11S,13R,20R)-7,11-Dihydroxy-4-(hydroxymethyl)-20-methyl-3,6,8,26-tetraoxa-1,14,16,22-tetraaza-7-phosphapentacyclo[18.3.1.12,5.110,13.114,18]heptacos-18(25)-en-15,17,21,23-tetron-7- oxid [German] [ACD/IUPAC Name]
(2R,4R,5S,10R,11S,13R,20R)-7,11-Dihydroxy-4-(hydroxymethyl)-20-methyl-3,6,8,26-tetraoxa-1,14,16,22-tetraaza-7-phosphapentacyclo[18.3.1.12,5.110,13.114,18]heptacos-18(25)-ene-15,17,21,23-tetrone 7-oxide [ACD/IUPAC Name]
3,6,8,26-Tetraoxa-1,14,16,22-tetraaza-7-phosphapentacyclo[18.3.1.12,5.110,13.114,18]heptacos-18(25)-ene-15,17,21,23-tetrone, 7,11-dihydroxy-4-(hydroxymethyl)-20-methyl-, 7-oxide, (2R,4R,5S,10R,1
 1S,13R,20R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 117.8±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: 46.7±0.5 10-24cm3
Surface Tension: 93.0±5.0 dyne/cm
Molar Volume: 317.3±5.0 cm3

Click to predict properties on the Chemicalize site


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