(2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C19H24O8 — CID 56965054

IUPAC(2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H](O)/C=C/C=C/C#CC#C/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H24O8/c20-12-14(22)10-8-6-4-2-1-3-5-7-9-11-26-19-18(25)17(24)16(23)15(13-21)27-19/h4,6-10,14-25H,11-13H2/b6-4+,9-7+,10-8+/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKeyNFAUVXUGYZILOQ-PSZMROSCSA-N
MW380.39 g/mol
LogP-2.17
Rot. Bonds7

About (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 56965054) has the molecular formula C19H24O8 and a molecular weight of 380.39 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID56965054
Molecular FormulaC19H24O8
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H](O)/C=C/C=C/C#CC#C/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H24O8/c20-12-14(22)10-8-6-4-2-1-3-5-7-9-11-26-19-18(25)17(24)16(23)15(13-21)27-19/h4,6-10,14-25H,11-13H2/b6-4+,9-7+,10-8+/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKeyNFAUVXUGYZILOQ-PSZMROSCSA-N
XLogP-2.17
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 5-2.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 56965054) is (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H](O)/C=C/C=C/C#CC#C/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is NFAUVXUGYZILOQ-PSZMROSCSA-N. The full InChI is InChI=1S/C19H24O8/c20-12-14(22)10-8-6-4-2-1-3-5-7-9-11-26-19-18(25)17(24)16(23)15(13-21)27-19/h4,6-10,14-25H,11-13H2/b6-4+,9-7+,10-8+/t14-,15-,16-,17+,18-,19-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 380.39 g/mol, XLogP of -2.17, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(2E,8E,10E,12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 56965054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).