(1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol

C18H36O7 — CID 139816430

IUPAC(1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol
SMILESCCCCCCCCCCCCC1(O)O[C@]1(O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-17(23)18(24,25-17)16(22)15(21)14(20)13-19/h14-16,19-24H,2-13H2,1H3/t14-,15+,16+,17?,18+/m0/s1
InChIKeyGUKCAEBPMLFSDD-BPENARPNSA-N
MW364.48 g/mol
LogP0.78
Rot. Bonds15

About (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol

(1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol (PubChem CID 139816430) has the molecular formula C18H36O7 and a molecular weight of 364.48 g/mol. Its IUPAC name is (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol
PubChem CID139816430
Molecular FormulaC18H36O7
Molecular Weight364.48 g/mol
Exact Mass364.25
IUPAC Name(1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol
SMILESCCCCCCCCCCCCC1(O)O[C@]1(O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-17(23)18(24,25-17)16(22)15(21)14(20)13-19/h14-16,19-24H,2-13H2,1H3/t14-,15+,16+,17?,18+/m0/s1
InChIKeyGUKCAEBPMLFSDD-BPENARPNSA-N
XLogP0.78
TPSA133.91 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 50.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
hexane-1,2,3,4,5,6-hexol;octacosan-1-ol
CID 174529828
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
4-pentyldodecane-1,2,3-triol
CID 175047891
(2R,3R,4R,5S)-6-(hexylamino)hexane-1,2,3,4,5-pentol;6-(hexylamino)hexane-1,2,3,4,5-pentol
CID 159342301
(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol
CID 154326806
(E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol
CID 102459917
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3S,4S)-2,3,4,5-tetrahydroxy-N-octylpentanamide
CID 175982166
octanoic acid;(2R,4S)-pentane-1,2,3,4,5-pentol
CID 86758342
hexadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 172817489

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol (CID 139816430) is (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol is CCCCCCCCCCCCC1(O)O[C@]1(O)[C@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol?
The InChIKey is GUKCAEBPMLFSDD-BPENARPNSA-N. The full InChI is InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-17(23)18(24,25-17)16(22)15(21)14(20)13-19/h14-16,19-24H,2-13H2,1H3/t14-,15+,16+,17?,18+/m0/s1.
What are the key properties of (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol?
(1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol has a molecular weight of 364.48 g/mol, XLogP of 0.78, 15 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-1-[(2R)-3-dodecyl-2,3-dihydroxyoxiran-2-yl]butane-1,2,3,4-tetrol is sourced from PubChem (CID 139816430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).