Found 10 results

Search term: MF = 'C_{33}H_{37}NO_{12}'
ChemSpider 2D Image | (5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1S)-2-butyn-1-ylidene]-2-deoxy-2-(dimethylamino)-beta-D-glucopyrano side | C33H37NO12

(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1S)-2-butyn-1-ylidene]-2-deoxy-2-(dimethylamino)-β-D-glucopyrano side

  • Molecular FormulaC33H37NO12
  • Average mass639.646 Da
  • Monoisotopic mass639.231567 Da
  • ChemSpider ID8387028

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1S)-2-butyn-1-ylidene]-2-deoxy-2-(dimethylamino)-β-D-glucopyrano side [ACD/IUPAC Name]
(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-4,6-O-[(1S)-2-butin-1-yliden]-2-desoxy-2-(dimethylamino)-β-D-glucopyrano sid [German] [ACD/IUPAC Name]
4,6-O-[(1S)-2-Butyn-1-ylidène]-2-désoxy-2-(diméthylamino)-β-D-glucopyranoside de (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-diméthoxyphényl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]diox ol-5-yle [French] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[4,6-O-[(1S)-2-butyn-1-ylidene]-2-deoxy-2-(dimethylamino)-β-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R ,5aR,8aR,9S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 814.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 446.5±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.78
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 15.22
ACD/KOC (pH 7.4): 226.08
Polar Surface Area: 144 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 434.9±5.0 cm3

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