ChemSpider 2D Image | (5S)-2,5-Anhydro-3,4-O-isopropylidene-4-C-(methoxycarbonyl)-5-{1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-D-ribitol | C25H27NO8S

(5S)-2,5-Anhydro-3,4-O-isopropylidene-4-C-(methoxycarbonyl)-5-{1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-D-ribitol

  • Molecular FormulaC25H27NO8S
  • Average mass501.549 Da
  • Monoisotopic mass501.145752 Da
  • ChemSpider ID25939687

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5S)-2,5-Anhydro-3,4-O-isopropyliden-4-C-(methoxycarbonyl)-5-{1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-D-ribitol [German] [ACD/IUPAC Name]
(5S)-2,5-Anhydro-3,4-O-isopropylidene-4-C-(methoxycarbonyl)-5-{1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-D-ribitol [ACD/IUPAC Name]
(5S)-2,5-Anhydro-3,4-O-isopropylidène-4-C-(méthoxycarbonyl)-5-{1-[(4-méthylphényl)sulfonyl]-1H-indol-2-yl}-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 2,5-anhydro-4-C-(methoxycarbonyl)-3,4-O-(1-methylethylidene)-5-C-[1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl]-, (5S)- [ACD/Index Name]
(3aR,4S,6S,6aS)-methyl 6-(hydroxymethyl)-2,2-dimethyl-4-(1-tosyl-1H-indol-2-yl)tetrahydrofuro[3,4-d][1,3]dioxole-3a-carboxylate
MFCD18837017 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.0±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1318.53
ACD/KOC (pH 5.5): 5956.07
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1318.53
ACD/KOC (pH 7.4): 5956.07
Polar Surface Area: 122 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 350.9±7.0 cm3

Click to predict properties on the Chemicalize site


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