ChemSpider 2D Image | Cinnamtannin A3 | C75H62O30

Cinnamtannin A3

  • Molecular FormulaC75H62O30
  • Average mass1443.277 Da
  • Monoisotopic mass1442.332642 Da
  • ChemSpider ID10272880
  • defined stereocentres - 14 of 14 defined stereocentres


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

(2R,2'R,2''R,2'''R,2''''R,3R,3'R,3''R,3'''R,3''''R,4R,4'R,4''R,4'''S)-2,2',2'',2''',2''''-Pentakis(3,4-dihydroxyphenyl)-3,3',3'',3''',3'''',4,4',4'',4''',4''''-decahydro-2H,2'H,2''H,2'''H,2''''H-4,8': 4',8'':4'',8''':4''',8''''-quinquechromen-3,3',3'',3''',3'''',5,5',5'',5''',5'''',7,7',7'',7''',7''''-pentadecol [German] [ACD/IUPAC Name]
(2R,2'R,2''R,2'''R,2''''R,3R,3'R,3''R,3'''R,3''''R,4R,4'R,4''R,4'''S)-2,2',2'',2''',2''''-Pentakis(3,4-dihydroxyphenyl)-3,3',3'',3''',3'''',4,4',4'',4''',4''''-decahydro-2H,2'H,2''H,2'''H,2''''H-4,8': 4',8'':4'',8''':4''',8''''-quinquechromene-3,3',3'',3''',3'''',5,5',5'',5''',5'''',7,7',7'',7''',7''''-pentadecol [ACD/IUPAC Name]
(2R,2'R,2''R,2'''R,2''''R,3R,3'R,3''R,3'''R,3''''R,4R,4'R,4''R,4'''S)-2,2',2'',2''',2''''-Pentakis(3,4-dihydroxyphényl)-3,3',3'',3''',3'''',4,4',4'',4''',4''''-décahydro-2H,2'H,2''H,2'''H,2''''H-4,8': 4',8'':4'',8''':4''',8''''-quinquechromène-3,3',3'',3''',3'''',5,5',5'',5''',5'''',7,7',7'',7''',7''''-pentadécol [French] [ACD/IUPAC Name]
[4,8':4',8'':4'',8''':4''',8''''-Quinque-2H-1-benzopyran]-3,3',3'',3''',3'''',5,5',5'',5''',5'''',7,7',7'',7''',7''''-pentadecol, 2,2',2'',2''',2''''-pentakis(3,4-dihydroxyphenyl)-3,3',3'',3''',3'''', 4,4',4'',4''',4''''-decahydro-, (2R,2'R,2''R,2'''R,2''''R,3R,3'R,3''R,3'''R,3''''R,4R,4'R,4''R,4'''S)- [ACD/Index Name]
Cinnamtannin A3
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[Epicatechin(4b->8)]4-epicatechin
[Epicatechin-(4β->8)]4-epicatechin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.846
Molar Refractivity: 360.7±0.3 cm3
#H bond acceptors: 30
#H bond donors: 25
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.26
ACD/KOC (pH 5.5): 157.59
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.12
ACD/KOC (pH 7.4): 154.97
Polar Surface Area: 552 Å2
Polarizability: 143.0±0.5 10-24cm3
Surface Tension: 115.6±3.0 dyne/cm
Molar Volume: 810.0±3.0 cm3

Click to predict properties on the Chemicalize site






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