(Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol

C24H48O4 — CID 154495931

IUPAC(Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol
SMILESCCCCCCCCCCCCCCCCCC/C=C\[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)24(28)23(27)21-25/h19-20,22-28H,2-18,21H2,1H3/b20-19-/t22-,23+,24-/m0/s1
InChIKeyXABWPSCDPCHHDR-WDCUFKSJSA-N
MW400.64 g/mol
LogP5.27
Rot. Bonds21

About (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol

(Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol (PubChem CID 154495931) has the molecular formula C24H48O4 and a molecular weight of 400.64 g/mol. Its IUPAC name is (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol
PubChem CID154495931
Molecular FormulaC24H48O4
Molecular Weight400.64 g/mol
Exact Mass400.36
IUPAC Name(Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol
SMILESCCCCCCCCCCCCCCCCCC/C=C\[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)24(28)23(27)21-25/h19-20,22-28H,2-18,21H2,1H3/b20-19-/t22-,23+,24-/m0/s1
InChIKeyXABWPSCDPCHHDR-WDCUFKSJSA-N
XLogP5.27
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-octacos-10-ene-1,12-diol
CID 131752969
(6S,7S,9Z)-nonadeca-9,18-diene-6,7-diol
CID 21597697
(Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol
CID 154495932
(2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol
CID 127029479
1-O-(2R-methoxy-4Z-hexadecenyl)-sn-glycerol
CID 51041883
1-O-(2-methoxy-4-hexadecenyl)-sn-glycerol
CID 137323841
1-O-(2R-methoxy-4Z-octadecenyl)-sn-glycerol
CID 137323844
1-O-(2R-hydroxy-4Z-octadecenyl)-sn-glycerol
CID 137323857
(E,2S,4S)-nonadec-6-ene-1,2,4-triol
CID 56590715
Phomopoxide A
CID 146684221
Phomopoxide B
CID 146684222
(5R)-octadec-6-en-5-ol
CID 162868618

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol?
The IUPAC name of (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol (CID 154495931) is (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol?
The canonical SMILES for (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol is CCCCCCCCCCCCCCCCCC/C=C\[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol?
The InChIKey is XABWPSCDPCHHDR-WDCUFKSJSA-N. The full InChI is InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)24(28)23(27)21-25/h19-20,22-28H,2-18,21H2,1H3/b20-19-/t22-,23+,24-/m0/s1.
What are the key properties of (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol?
(Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol has a molecular weight of 400.64 g/mol, XLogP of 5.27, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 154495931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).