Identification

PhytoHub ID
PHUB000368
Name
Rubixanthin
Synonyms
  • carotene (3-hydroxy-gamma-)
CAS Number
Not Available
Average Mass
552.887
Monoisotopic Mass
552.433116423
Chemical Formula
C40H56O
IUPAC Name
rubixanthin
InChI Key
ABTRFGSPYXCGMR-AXXBKCDFSA-N
InChI Identifier
InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1
SMILES
CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
5.23e-04 g/l
LogS (ALOGPS)
-6.02
LogP (ALOGPS)
8.92
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
13
Polar Surface Area
20.23
Refractivity
196.37840000000006
Polarizability
73.4095078860338
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.089784856860705
pKa (strongest acidic)
18.907213404525137
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Metabolism

No metabolism information available

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