(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one

C16H28O7 — CID 54740315

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OCCCCCCCCCCO
InChIInChI=1S/C16H28O7/c17-9-7-5-3-1-2-4-6-8-10-22-15-13(20)14(12(19)11-18)23-16(15)21/h12,14,17-20H,1-11H2/t12-,14+/m0/s1
InChIKeyMNVUDRAZGWZURU-GXTWGEPZSA-N
MW332.39 g/mol
LogP1.16
Rot. Bonds13

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one (PubChem CID 54740315) has the molecular formula C16H28O7 and a molecular weight of 332.39 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one
PubChem CID54740315
Molecular FormulaC16H28O7
Molecular Weight332.39 g/mol
Exact Mass332.18
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OCCCCCCCCCCO
InChIInChI=1S/C16H28O7/c17-9-7-5-3-1-2-4-6-8-10-22-15-13(20)14(12(19)11-18)23-16(15)21/h12,14,17-20H,1-11H2/t12-,14+/m0/s1
InChIKeyMNVUDRAZGWZURU-GXTWGEPZSA-N
XLogP1.16
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-decoxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
CID 68591726
2-(1,2-dihydroxyethyl)-3-hydroxy-4-undecoxy-2H-furan-5-one
CID 54726558
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hexoxy-3-hydroxy-2H-furan-5-one
CID 68591424
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-nonadecoxy-2H-furan-5-one
CID 68590112
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one
CID 68591015
(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-3-octadecoxy-2H-furan-5-one
CID 14016241
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-heptadecoxy-4-hydroxy-2H-furan-5-one
CID 18600174
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-docosoxy-4-hydroxy-2H-furan-5-one
CID 24953738
potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate
CID 140550032
[2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 130404672
[(2R)-2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 54690328
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
CID 118281516

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one (CID 54740315) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CO)C(O)=C1OCCCCCCCCCCO.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one?
The InChIKey is MNVUDRAZGWZURU-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H28O7/c17-9-7-5-3-1-2-4-6-8-10-22-15-13(20)14(12(19)11-18)23-16(15)21/h12,14,17-20H,1-11H2/t12-,14+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one has a molecular weight of 332.39 g/mol, XLogP of 1.16, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one is sourced from PubChem (CID 54740315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).