2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C10H14O12 — CID 54683891

IUPAC2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C(O)C(O)C(O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C4H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5;5-1(3(7)8)2(6)4(9)10/h2,5,7-10H,1H2;1-2,5-6H,(H,7,8)(H,9,10)/t2-,5+;/m0./s1
InChIKeyDJBVJEARLVOFME-RXSVEWSESA-N
MW326.21 g/mol
LogP-3.53
Rot. Bonds5

About 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54683891) has the molecular formula C10H14O12 and a molecular weight of 326.21 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54683891
Molecular FormulaC10H14O12
Molecular Weight326.21 g/mol
Exact Mass326.05
IUPAC Name2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C(O)C(O)C(O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C4H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5;5-1(3(7)8)2(6)4(9)10/h2,5,7-10H,1H2;1-2,5-6H,(H,7,8)(H,9,10)/t2-,5+;/m0./s1
InChIKeyDJBVJEARLVOFME-RXSVEWSESA-N
XLogP-3.53
TPSA222.28 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.21
LogP ≤ 5-3.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 54683891) is 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is O=C(O)C(O)C(O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is DJBVJEARLVOFME-RXSVEWSESA-N. The full InChI is InChI=1S/C6H8O6.C4H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5;5-1(3(7)8)2(6)4(9)10/h2,5,7-10H,1H2;1-2,5-6H,(H,7,8)(H,9,10)/t2-,5+;/m0./s1.
What are the key properties of 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 326.21 g/mol, XLogP of -3.53, 5 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54683891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).