ChemSpider 2D Image | (4bS,6aS,6bR,9aS,10aS,10bR)-2-(Methoxymethoxy)-6a-methyl-5,6,6a,6b,9a,10,10a,10b,11,12-decahydro-4bH-naphtho[2',1':4,5]indeno[1,2-d][1,3,2]dioxathiole 8,8-dioxide | C20H26O6S

(4bS,6aS,6bR,9aS,10aS,10bR)-2-(Methoxymethoxy)-6a-methyl-5,6,6a,6b,9a,10,10a,10b,11,12-decahydro-4bH-naphtho[2',1':4,5]indeno[1,2-d][1,3,2]dioxathiole 8,8-dioxide

  • Molecular FormulaC20H26O6S
  • Average mass394.482 Da
  • Monoisotopic mass394.145020 Da
  • ChemSpider ID30657091

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4bS,6aS,6bR,9aS,10aS,10bR)-2-(Methoxymethoxy)-6a-methyl-5,6,6a,6b,9a,10,10a,10b,11,12-decahydro-4bH-naphtho[2',1':4,5]indeno[1,2-d][1,3,2]dioxathiol-8,8-dioxid [German] [ACD/IUPAC Name]
(4bS,6aS,6bR,9aS,10aS,10bR)-2-(Methoxymethoxy)-6a-methyl-5,6,6a,6b,9a,10,10a,10b,11,12-decahydro-4bH-naphtho[2',1':4,5]indeno[1,2-d][1,3,2]dioxathiole 8,8-dioxide [ACD/IUPAC Name]
5H-Naphth[2',1':4,5]indeno[1,2-d][1,3,2]dioxathiole, 4b,6,6a,6b,9a,10,10a,10b,11,12-decahydro-2-(methoxymethoxy)-6a-methyl-, 8,8-dioxide, (4bS,6aS,6bR,9aS,10aS,10bR)- [ACD/Index Name]
8,8-Dioxyde de (4bS,6aS,6bR,9aS,10aS,10bR)-2-(méthoxyméthoxy)-6a-méthyl-5,6,6a,6b,9a,10,10a,10b,11,12-décahydro-4bH-naphto[2',1':4,5]indéno[1,2-d][1,3,2]dioxathiole [French] [ACD/IUPAC Name]
177714-21-5 [RN]
3-METHOXYMETHYL-16α,17β-EPIESTRIOL-O-CYCLIC SULFONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 283.2±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 542.50
ACD/KOC (pH 5.5): 3154.17
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 542.50
ACD/KOC (pH 7.4): 3154.17
Polar Surface Area: 79 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 307.0±3.0 cm3

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