(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol

C20H40O6 — CID 10126394

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol
SMILESCCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-20-19(24)18(23)17(22)16(15-21)26-20/h16-24H,2-15H2,1H3/t16-,17-,18+,19-,20-/m1/s1
InChIKeyORUDEUCNYHCHPB-OUUBHVDSSA-N
MW376.53 g/mol
LogP2.50
Rot. Bonds15

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol (PubChem CID 10126394) has the molecular formula C20H40O6 and a molecular weight of 376.53 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol
PubChem CID10126394
Molecular FormulaC20H40O6
Molecular Weight376.53 g/mol
Exact Mass376.28
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol
SMILESCCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-20-19(24)18(23)17(22)16(15-21)26-20/h16-24H,2-15H2,1H3/t16-,17-,18+,19-,20-/m1/s1
InChIKeyORUDEUCNYHCHPB-OUUBHVDSSA-N
XLogP2.50
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol (CID 10126394) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol is CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol?
The InChIKey is ORUDEUCNYHCHPB-OUUBHVDSSA-N. The full InChI is InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-20-19(24)18(23)17(22)16(15-21)26-20/h16-24H,2-15H2,1H3/t16-,17-,18+,19-,20-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol has a molecular weight of 376.53 g/mol, XLogP of 2.50, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-tetradecoxyoxane-3,4,5-triol is sourced from PubChem (CID 10126394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).