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All-trans-Retinal

CAT: 0063-52326571-1gSize: 1 gDry Ice: NoHazardous: No
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CAS Number
116-31-4
Molecular Formula
C20H28O
Molecular Weight
284.44
Formulation
C20H28O

Chemical Information

Retinal

All-trans-retinal is a retinal in which all four exocyclic double bonds have E- (trans-) geometry. It has a role as a gap junctional intercellular communication inhibitor, a mouse metabolite and a human metabolite. It is a vitamin A and a retinal.

CAS Number116-31-4
PubChem CID638015
IUPAC Name(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
Molecular FormulaC20H28O
Molecular Weight284.4
XLogP6.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity522
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
InChI
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKey
NCYCYZXNIZJOKI-OVSJKPMPSA-N
Chemical Structure
2D Structure
2D structure of Retinal
CAS: 116-31-4
CID: 638015
Formula: C20H28O
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass284.214015512
Monoisotopic Mass284.214015512
Topological Polar Surface Area17.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C4061-250all-trans Retinal
RM-R051401-01All-Trans-Retinal
S6132-01All trans-Retinal
TRC-R240002-10MGall-trans-Retinal-d5
AR-R10770-01All-trans Retinal-d5
HY-W004500R-01All-trans-retinal (Standard)

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