ChemSpider 2D Image | (2S,9aR,11aR)-1,5',9a,11a-Tetramethyltetradecahydro-1H-spiro[phenanthro[1,2-b]furan-2,2'-piperidin]-7-yl (1R)-hexopyranosyl-(1->2)-(4xi)-D-threo-pentopyranosyl-(1->3)-alpha-L-threo-hexopyranosyl-(1->4 )-beta-L-erythro-hexopyranoside | C47H79NO21

(2S,9aR,11aR)-1,5',9a,11a-Tetramethyltetradecahydro-1H-spiro[phenanthro[1,2-b]furan-2,2'-piperidin]-7-yl (1R)-hexopyranosyl-(1->2)-(4ξ)-D-threo-pentopyranosyl-(1->3)-α-L-threo-hexopyranosyl-(1->4 )-β-L-erythro-hexopyranoside

  • Molecular FormulaC47H79NO21
  • Average mass994.124 Da
  • Monoisotopic mass993.514465 Da
  • ChemSpider ID26371496

  • defined stereocentres - 12 of 29 defined stereocentres

More details:

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

(2S,9aR,11aR)-1,5',9a,11a-Tetramethyltetradecahydro-1H-spiro[phenanthro[1,2-b]furan-2,2'-piperidin]-7-yl (1R)-hexopyranosyl-(1->2)-(4ξ)-D-threo-pentopyranosyl-(1->3)-α-L-threo-hexopyranosyl-(1->4 )-β-L-erythro-hexopyranoside [ACD/IUPAC Name]
β-L-erythro-Hexopyranoside, (2S,9aR,11aR)-tetradecahydro-1,5',9a,11a-tetramethylspiro[phenanthro[1,2-b]furan-2(1H),2'-piperidin]-7-yl O-(1R)-hexopyranosyl-(1->2)-O(4ξ)-D-threo-pentopyranosyl-(1->3 
)-O-α-L-threo-hexopyranosyl-(1->4)- [ACD/Index Name]
(2S,9aR,11aR)-1,5',9a,11a-Tetramethyltetradecahydro-1H-spiro[phenanthro[1,2-b]furan-2,2'-piperidin]-7-yl (1R)-hexopyranosyl-(1->2)-(4ξ)-D-threo-pentopyranosyl-(1->3)-α-L-threo-hexopyranosyl-(1->4 )-β-L-erythro-hexopyranoside [ACD/IUPAC Name]
β-L-erythro-Hexopyranoside, (2S,9aR,11aR)-tetradecahydro-1,5',9a,11a-tetramethylspiro[phenanthro[1,2-b]furan-2(1H),2'-piperidin]-7-yl O-(1R)-hexopyranosyl-(1->2)-O(4ξ)-D-threo-pentopyranosyl-(1->3 )-O-α-L-threo-hexopyranosyl-(1->4)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 238.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 338 Å2
Polarizability: 94.6±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 666.0±5.0 cm3

Click to predict properties on the Chemicalize site


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