1,2,3,4,5-pentahydroxytetracosan-6-one

C24H48O6 — CID 174434517

IUPAC1,2,3,4,5-pentahydroxytetracosan-6-one
SMILESCCCCCCCCCCCCCCCCCCC(=O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(26)22(28)24(30)23(29)21(27)19-25/h21-25,27-30H,2-19H2,1H3
InChIKeyGFGVSDNYVNXQRK-UHFFFAOYSA-N
MW432.64 g/mol
LogP3.64
Rot. Bonds22

About 1,2,3,4,5-pentahydroxytetracosan-6-one

1,2,3,4,5-pentahydroxytetracosan-6-one (PubChem CID 174434517) has the molecular formula C24H48O6 and a molecular weight of 432.64 g/mol. Its IUPAC name is 1,2,3,4,5-pentahydroxytetracosan-6-one.

Molecular Properties

Compound Name1,2,3,4,5-pentahydroxytetracosan-6-one
PubChem CID174434517
Molecular FormulaC24H48O6
Molecular Weight432.64 g/mol
Exact Mass432.35
IUPAC Name1,2,3,4,5-pentahydroxytetracosan-6-one
SMILESCCCCCCCCCCCCCCCCCCC(=O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(26)22(28)24(30)23(29)21(27)19-25/h21-25,27-30H,2-19H2,1H3
InChIKeyGFGVSDNYVNXQRK-UHFFFAOYSA-N
XLogP3.64
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 53.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxytridecan-6-one
CID 87273636
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxydodecan-6-one
CID 163366048
(2R,3S,4S,5R)-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 118678688
(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
CID 141256889
(2R,3R,4S,5R)-1,2,3,4,5,6-hexahydroxypentadecan-7-one
CID 175836941
(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one
CID 139765419
oxalonitrile;1,2,3,4,5-pentahydroxyundecan-6-one
CID 175060803
(2R,3R,4S,5R)-14-deuterio-1,2,3,4,5-pentahydroxytetradecan-6-one
CID 141214984
(2R,3R,4S,5S)-18-deuterio-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 164775554
(5R,6S,7R,8R)-1-heptadecoxy-5,6,7,8,9-pentahydroxynonan-4-one
CID 141065918
(3S)-1,2,3-trihydroxynonadecan-4-one
CID 87183242
(2R,3R)-1,2,3-trihydroxynonadecan-4-one
CID 129379361

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentahydroxytetracosan-6-one?
The IUPAC name of 1,2,3,4,5-pentahydroxytetracosan-6-one (CID 174434517) is 1,2,3,4,5-pentahydroxytetracosan-6-one.
What is the SMILES notation for 1,2,3,4,5-pentahydroxytetracosan-6-one?
The canonical SMILES for 1,2,3,4,5-pentahydroxytetracosan-6-one is CCCCCCCCCCCCCCCCCCC(=O)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 1,2,3,4,5-pentahydroxytetracosan-6-one?
The InChIKey is GFGVSDNYVNXQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(26)22(28)24(30)23(29)21(27)19-25/h21-25,27-30H,2-19H2,1H3.
What are the key properties of 1,2,3,4,5-pentahydroxytetracosan-6-one?
1,2,3,4,5-pentahydroxytetracosan-6-one has a molecular weight of 432.64 g/mol, XLogP of 3.64, 22 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentahydroxytetracosan-6-one is sourced from PubChem (CID 174434517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).