(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one

C12H20O10 — CID 67266658

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(OCC(O)CO)=C1OCC(O)CO
InChIInChI=1S/C12H20O10/c13-1-6(16)4-20-10-9(8(18)3-15)22-12(19)11(10)21-5-7(17)2-14/h6-9,13-18H,1-5H2/t6?,7?,8-,9+/m0/s1
InChIKeyNAQQWVCPJFBHCV-ABIFROTESA-N
MW324.28 g/mol
LogP-3.78
Rot. Bonds10

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one (PubChem CID 67266658) has the molecular formula C12H20O10 and a molecular weight of 324.28 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one
PubChem CID67266658
Molecular FormulaC12H20O10
Molecular Weight324.28 g/mol
Exact Mass324.11
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(OCC(O)CO)=C1OCC(O)CO
InChIInChI=1S/C12H20O10/c13-1-6(16)4-20-10-9(8(18)3-15)22-12(19)11(10)21-5-7(17)2-14/h6-9,13-18H,1-5H2/t6?,7?,8-,9+/m0/s1
InChIKeyNAQQWVCPJFBHCV-ABIFROTESA-N
XLogP-3.78
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.28
LogP ≤ 5-3.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

L-Ascorbic Acid
CID 54670067
Sodium Ascorbate
CID 23667548
Erythorbic Acid
CID 54675810
Calcium Ascorbate
CID 54740489
Sodium Erythorbate
CID 23683938
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Ascorbate
CID 54679076
Ferrous Ascorbate
CID 86763295
Magnesium Ascorbate
CID 54682511
Calcium ascorbate dihydrate
CID 54682536
Manganese ascorbate
CID 90479050
Zinc Ascorbate
CID 91667835

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one (CID 67266658) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CO)C(OCC(O)CO)=C1OCC(O)CO.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one?
The InChIKey is NAQQWVCPJFBHCV-ABIFROTESA-N. The full InChI is InChI=1S/C12H20O10/c13-1-6(16)4-20-10-9(8(18)3-15)22-12(19)11(10)21-5-7(17)2-14/h6-9,13-18H,1-5H2/t6?,7?,8-,9+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one has a molecular weight of 324.28 g/mol, XLogP of -3.78, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one is sourced from PubChem (CID 67266658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).