[(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate

C14H25O9P — CID 71261972

IUPAC[(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate
SMILESCCOC1=C(OCC)[C@@H]([C@H](CO)OP(=O)(OCC)OCC)OC1=O
InChIInChI=1S/C14H25O9P/c1-5-18-12-11(22-14(16)13(12)19-6-2)10(9-15)23-24(17,20-7-3)21-8-4/h10-11,15H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyJXQVJNMMKWOLPS-WDEREUQCSA-N
MW368.32 g/mol
LogP1.75
Rot. Bonds12

About [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate

[(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate (PubChem CID 71261972) has the molecular formula C14H25O9P and a molecular weight of 368.32 g/mol. Its IUPAC name is [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate.

Molecular Properties

Compound Name[(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate
PubChem CID71261972
Molecular FormulaC14H25O9P
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name[(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate
SMILESCCOC1=C(OCC)[C@@H]([C@H](CO)OP(=O)(OCC)OCC)OC1=O
InChIInChI=1S/C14H25O9P/c1-5-18-12-11(22-14(16)13(12)19-6-2)10(9-15)23-24(17,20-7-3)21-8-4/h10-11,15H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyJXQVJNMMKWOLPS-WDEREUQCSA-N
XLogP1.75
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Magnesium Ascorbyl Phosphate
CID 71587428
Sodium Ascorbyl Phosphate
CID 10990876
3-O-Ethylascorbic acid
CID 150736
Ascorbic acid 2-phosphate
CID 54679073
Sodium calcium ascorbyl phosphate
CID 10925118
L-Ascorbate-2-Phosphate
CID 54702575
L-ascorbate 6-phosphate(3-)
CID 54735473
L-Ascorbate 6-phosphate
CID 54723872
2-O-Ethyl ascorbic acid
CID 54694369
2-(1,2-dihydroxyethyl)-3,4-dimethoxy-2H-furan-5-one
CID 315264
2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one
CID 3614716
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one
CID 6995625

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate?
The IUPAC name of [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate (CID 71261972) is [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate.
What is the SMILES notation for [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate?
The canonical SMILES for [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate is CCOC1=C(OCC)[C@@H]([C@H](CO)OP(=O)(OCC)OCC)OC1=O.
What is the InChIKey of [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate?
The InChIKey is JXQVJNMMKWOLPS-WDEREUQCSA-N. The full InChI is InChI=1S/C14H25O9P/c1-5-18-12-11(22-14(16)13(12)19-6-2)10(9-15)23-24(17,20-7-3)21-8-4/h10-11,15H,5-9H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate?
[(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate has a molecular weight of 368.32 g/mol, XLogP of 1.75, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate is sourced from PubChem (CID 71261972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).