(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one

C24H48O7 — CID 141256889

IUPAC(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
SMILESCCCCCCCCCCCCCCCCCC(=O)C(O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(26)21(28)23(30)24(31)22(29)20(27)18-25/h20-25,27-31H,2-18H2,1H3/t20-,21?,22+,23-,24+/m0/s1
InChIKeyDIMHUSIYDUXWNO-ISJLBCRXSA-N
MW448.64 g/mol
LogP2.61
Rot. Bonds22

About (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one

(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one (PubChem CID 141256889) has the molecular formula C24H48O7 and a molecular weight of 448.64 g/mol. Its IUPAC name is (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one.

Molecular Properties

Compound Name(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
PubChem CID141256889
Molecular FormulaC24H48O7
Molecular Weight448.64 g/mol
Exact Mass448.34
IUPAC Name(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
SMILESCCCCCCCCCCCCCCCCCC(=O)C(O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(26)21(28)23(30)24(31)22(29)20(27)18-25/h20-25,27-31H,2-18H2,1H3/t20-,21?,22+,23-,24+/m0/s1
InChIKeyDIMHUSIYDUXWNO-ISJLBCRXSA-N
XLogP2.61
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 52.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one with MolForge

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Related Compounds

(2R,3R,4S,5R)-1,2,3,4,5,6-hexahydroxypentadecan-7-one
CID 175836941
1,2,3,4,5-pentahydroxytetracosan-6-one
CID 174434517
(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
(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 (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one?
The IUPAC name of (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one (CID 141256889) is (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one.
What is the SMILES notation for (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one?
The canonical SMILES for (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one is CCCCCCCCCCCCCCCCCC(=O)C(O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one?
The InChIKey is DIMHUSIYDUXWNO-ISJLBCRXSA-N. The full InChI is InChI=1S/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(26)21(28)23(30)24(31)22(29)20(27)18-25/h20-25,27-31H,2-18H2,1H3/t20-,21?,22+,23-,24+/m0/s1.
What are the key properties of (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one?
(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one has a molecular weight of 448.64 g/mol, XLogP of 2.61, 22 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one is sourced from PubChem (CID 141256889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).