ChemSpider 2D Image | (1S)-1-[(3R,4R,6S,6aR,8aR,10R,12S,12aR,12bR)-4,6,7,10,12-Pentamethyl-1,8-dioxotetradecahydro-1H-naphtho[1,2-c]oxocin-3-yl]ethyl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C34H56O14

(1S)-1-[(3R,4R,6S,6aR,8aR,10R,12S,12aR,12bR)-4,6,7,10,12-Pentamethyl-1,8-dioxotetradecahydro-1H-naphtho[1,2-c]oxocin-3-yl]ethyl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC34H56O14
  • Average mass688.800 Da
  • Monoisotopic mass688.367004 Da
  • ChemSpider ID78440355

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(1S)-1-[(3R,4R,6S,6aR,8aR,10R,12S,12aR,12bR)-4,6,7,10,12-Pentamethyl-1,8-dioxotetradecahydro-1H-naphtho[1,2-c]oxocin-3-yl]ethyl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1S)-1-[(3R,4R,6S,6aR,8aR,10R,12S,12aR,12bR)-4,6,7,10,12-Pentamethyl-1,8-dioxotetradecahydro-1H-naphtho[1,2-c]oxocin-3-yl]ethyl-3-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H-Naphth[1,2-c]oxocin-1,8(7H)-dione, 3-[(1S)-1-[(3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]ethyl]dodecahydro-4,6,7,10,12-pentamethyl-, (3R,4R,6S,6aR,8aR,10R,12S,12aR,12bR)- [ACD/Index Name]
3-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1S)-1-[(3R,4R,6S,6aR,8aR,10R,12S,12aR,12bR)-4,6,7,10,12-pentaméthyl-1,8-dioxotétradécahydro-1H-naphto[1,2-c]oxocin-3-yl]éthyle [French] [ACD/IUPAC Name]
Satosporin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 885.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.2±6.0 kJ/mol
Flash Point: 273.3±27.8 °C
Index of Refraction: 1.580
Molar Refractivity: 168.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.65
ACD/KOC (pH 5.5): 104.60
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.65
ACD/KOC (pH 7.4): 104.60
Polar Surface Area: 222 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 506.3±5.0 cm3

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