ChemSpider 2D Image | (3R,3'R)-(1,1',2,2',3,3',4,4',5,5',6,6',7,7',8,8',9,9',10,10',11,11',12,12',13,13',14,14',15,15',16,16',17,17',18,18',19,19',20,20'-~13~C_40_)-beta,beta-Carotene-3,3'-diol | 13C40H56O2

(3R,3'R)-(1,1',2,2',3,3',4,4',5,5',6,6',7,7',8,8',9,9',10,10',11,11',12,12',13,13',14,14',15,15',16,16',17,17',18,18',19,19',20,20'-13C40)-β,β-Carotene-3,3'-diol

  • Molecular Formula13C40H56O2
  • Average mass608.578 Da
  • Monoisotopic mass608.562195 Da
  • ChemSpider ID9214509
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3R,3'R)-(1,1',2,2',3,3',4,4',5,5',6,6',7,7',8,8',9,9',10,10',11,11',12,12',13,13',14,14',15,15',16,16',17,17',18,18',19,19',20,20'-13C40)-β,β-Carotene-3,3'-diol [ACD/IUPAC Name]
(3R,3'R)-(1,1',2,2',3,3',4,4',5,5',6,6',7,7',8,8',9,9',10,10',11,11',12,12',13,13',14,14',15,15',16,16',17,17',18,18',19,19',20,20'-13C40)-β,β-Carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3R,3'R)-(1,1',2,2',3,3',4,4',5,5',6,6',7,7',8,8',9,9',10,10',11,11',12,12',13,13',14,14',15,15',16,16',17,17',18,18',19,19',20,20'-13C40)-β,β-Carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol-1,1',2,2',3,3',4,4',5,5',6,6',7,7',8,8',9,9',10,10',11,11',12,12',13,13',14,14',15,15',16,16',17,17',18,18',19,19',20,20'-13C40, (3R,3'R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 189.1±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 564.1±3.0 cm3

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