ChemSpider 2D Image | Prodelphinidin T1 | C45H38O20

Prodelphinidin T1

  • Molecular FormulaC45H38O20
  • Average mass898.771 Da
  • Monoisotopic mass898.195618 Da
  • ChemSpider ID71044268

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2''-(3,4-Dihydroxyphenyl)-2,2'-bis(3,4,5-trihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromen-3,3',3'',5,5',5'',7,7',7''-nonol [German] [ACD/IUPAC Name]
(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2''-(3,4-Dihydroxyphenyl)-2,2'-bis(3,4,5-trihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol [ACD/IUPAC Name]
(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2''-(3,4-Dihydroxyphényl)-2,2'-bis(3,4,5-trihydroxyphényl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromène-3,3',3'',5,5',5'',7,7',7''-nonol [French] [ACD/IUPAC Name]
[4,8':4',8''-Ter-2H-1-benzopyran]-3,3',3'',5,5',5'',7,7',7''-nonol, 2''-(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2,2'-bis(3,4,5-trihydroxyphenyl)-, (2R,2'R,2''R,3S,3'S,3''S,4S,4'R)- [ACD/Index Name]
79136-97-3 [RN]
Prodelphinidin T1

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.854
Molar Refractivity: 220.9±0.3 cm3
#H bond acceptors: 20
#H bond donors: 17
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.06
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.63
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.11
Polar Surface Area: 372 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 121.6±3.0 dyne/cm
Molar Volume: 492.9±3.0 cm3

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