ChemSpider 2D Image | Procyanidin C1 | C45H38O18

Procyanidin C1

  • Molecular FormulaC45H38O18
  • Average mass866.772 Da
  • Monoisotopic mass866.205811 Da
  • ChemSpider ID148540
  • 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,3R,3'R,3''R,4R,4'S)-2,2',2''-Tris(3,4-dihydroxyphenyl)-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,3R,3'R,3''R,4R,4'S)-2,2',2''-Tris(3,4-dihydroxyphenyl)-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,3R,3'R,3''R,4R,4'S)-2,2',2''-Tris(3,4-dihydroxyphényl)-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, 2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-, (2R,2'R,2''R,3R,3'R,3''R,4R,4'S)- [ACD/Index Name]
37064-30-5 [RN]
Procyanidin C1 [Wiki]
(2R,?2'R,?2''R,?3R,?3'R,?3''R,?4R,?4'S)?-2,?2',?2''-?tris(3,?4-?dihydroxyphenyl)?-?3,?3',?3'',?4,?4',?4''-?hexahydro-[4,?8':4',?8''-?Ter-?2H-?1-?benzopyran]?-?3,?3',?3'',?5,?5',?5'',?7,?7',?7''-?nonol?
(2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-Tris(3,4-dihydroxyphenyl)-[4,8':4',8''-terchroman]-3,3',3'',5,5',5'',7,7',7''-nonaol
(2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-[4,8':4',8''-ter-2H-1-benzopyran]-3,3',3'',5,5',5'',7,7',7''-nonol
(2R,3R,4R,2'R,3'R,4'S,2''R,3''R)-2,2',2''-Tris-(3,4-dihydroxy-phenyl)-3,4,3',4',3'',4''-hexahydro-2H,2'H,2''H-[4,8';4',8'']terchromene-3,5,7,3',5',7',3'',5'',7''-nonaol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

33516LCW4F [DBID]
AIDS082361 [DBID]
AIDS-082361 [DBID]
UNII:33516LCW4F [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.826
Molar Refractivity: 217.2±0.3 cm3
#H bond acceptors: 18
#H bond donors: 15
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.38
ACD/KOC (pH 5.5): 100.18
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 98.60
Polar Surface Area: 331 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 110.1±3.0 dyne/cm
Molar Volume: 496.1±3.0 cm3

Click to predict properties on the Chemicalize site





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