(2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol

C16H32O6 — CID 57025902

IUPAC(2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
SMILESCCCCCCCCCC[C@@]1(O)O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-16(21)15(20)13(19)14(22-16)12(18)11-17/h12-15,17-21H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyIMNCEHTZIOXSBX-IBEHDNSVSA-N
MW320.43 g/mol
LogP0.68
Rot. Bonds11

About (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol

(2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol (PubChem CID 57025902) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
PubChem CID57025902
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Name(2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
SMILESCCCCCCCCCC[C@@]1(O)O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-16(21)15(20)13(19)14(22-16)12(18)11-17/h12-15,17-21H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyIMNCEHTZIOXSBX-IBEHDNSVSA-N
XLogP0.68
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 50.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol with MolForge

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Related Compounds

(2S)-2-[(2R,3R,4R,5S)-5-hexyl-3,4,5-trihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 54261459
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-nonyloxane-2,3,4,5-tetrol
CID 141242190
2-heptyl-6-(hydroxymethyl)-5-sulfanyloxane-2,3,4-triol
CID 91406796
(2S,3R,4S,5S,6R)-2-butyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 152616665
(3R,4S,5R)-2-(2-deuteriopropan-2-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 141333861
(2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol
CID 70508111
(3R,4R,5R,6S)-6-bromo-6-(hydroxymethyl)-2-pentyloxane-2,3,4,5-tetrol
CID 175181956
(3S,4R,5S,6S)-6-bromo-6-(hydroxymethyl)-2-pentyloxane-2,3,4,5-tetrol
CID 175195596
(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,3,4-trihydroxyoxolane-2-sulfonic acid
CID 166033888
octakis((2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol);bis(octadecanoic acid)
CID 173187500
2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol
CID 559119
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol (CID 57025902) is (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol is CCCCCCCCCC[C@@]1(O)O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The InChIKey is IMNCEHTZIOXSBX-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-16(21)15(20)13(19)14(22-16)12(18)11-17/h12-15,17-21H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
(2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol has a molecular weight of 320.43 g/mol, XLogP of 0.68, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 57025902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).