ChemSpider 2D Image | (2S,4aS,6S)-6-{(1S,2R,3R)-2-(2-Hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methylene-2-heptanyl]cyclopentyl}-4a-methyl-5-oxo-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenyl 6-deoxy-alpha-L-galactopyranoside | C34H56O7

(2S,4aS,6S)-6-{(1S,2R,3R)-2-(2-Hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methylene-2-heptanyl]cyclopentyl}-4a-methyl-5-oxo-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenyl 6-deoxy-α-L-galactopyranoside

  • Molecular FormulaC34H56O7
  • Average mass576.804 Da
  • Monoisotopic mass576.402588 Da
  • ChemSpider ID28645122

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2S,4aS,6S)-6-{(1S,2R,3R)-2-(2-Hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methylen-2-heptanyl]cyclopentyl}-4a-methyl-5-oxo-1,2,3,4,4a,5,6,7-octahydro-2-naphthalinyl-6-desoxy-α-L-galactopyranosid [German] [ACD/IUPAC Name]
(2S,4aS,6S)-6-{(1S,2R,3R)-2-(2-Hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methylene-2-heptanyl]cyclopentyl}-4a-methyl-5-oxo-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenyl 6-deoxy-α-L-galactopyranoside [ACD/IUPAC Name]
1(2H)-Naphthalenone, 6-[(6-deoxy-α-L-galactopyranosyl)oxy]-2-[(1S,2R,3R)-3-[(1R)-1,5-dimethyl-4-methylenehexyl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-3,5,6,7,8,8a-hexahydro-8a-methyl-, (2S,6S,8a S)- [ACD/Index Name]
6-Désoxy-α-L-galactopyranoside de (2S,4aS,6S)-6-{(1S,2R,3R)-2-(2-hydroxyéthyl)-2-méthyl-3-[(2R)-6-méthyl-5-méthylène-2-heptanyl]cyclopentyl}-4a-méthyl-5-oxo-1,2,3,4,4a,5,6,7-octahydro-2-naphtalény le [French] [ACD/IUPAC Name]
sinularoside A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 686.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 208.0±25.0 °C
Index of Refraction: 1.550
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13467.85
ACD/KOC (pH 5.5): 31429.66
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13467.77
ACD/KOC (pH 7.4): 31429.49
Polar Surface Area: 116 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 502.1±5.0 cm3

Click to predict properties on the Chemicalize site


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