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

C10H14O11 — CID 70235119

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C4H6O5/c7-1-2(8)5-3(9)4(10)6(11)12-5;5-2(4(8)9)1-3(6)7/h2,5,7-10H,1H2;2,5H,1H2,(H,6,7)(H,8,9)/t2-,5+;/m0./s1
InChIKeyZMIRCNFHGODZMD-RXSVEWSESA-N
MW310.21 g/mol
LogP-2.50
Rot. Bonds5

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

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid (PubChem CID 70235119) has the molecular formula C10H14O11 and a molecular weight of 310.21 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid
PubChem CID70235119
Molecular FormulaC10H14O11
Molecular Weight310.21 g/mol
Exact Mass310.05
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C4H6O5/c7-1-2(8)5-3(9)4(10)6(11)12-5;5-2(4(8)9)1-3(6)7/h2,5,7-10H,1H2;2,5H,1H2,(H,6,7)(H,8,9)/t2-,5+;/m0./s1
InChIKeyZMIRCNFHGODZMD-RXSVEWSESA-N
XLogP-2.50
TPSA202.05 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.21
LogP ≤ 5-2.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid (CID 70235119) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid is O=C(O)CC(O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid?
The InChIKey is ZMIRCNFHGODZMD-RXSVEWSESA-N. The full InChI is InChI=1S/C6H8O6.C4H6O5/c7-1-2(8)5-3(9)4(10)6(11)12-5;5-2(4(8)9)1-3(6)7/h2,5,7-10H,1H2;2,5H,1H2,(H,6,7)(H,8,9)/t2-,5+;/m0./s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid has a molecular weight of 310.21 g/mol, XLogP of -2.50, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxybutanedioic acid is sourced from PubChem (CID 70235119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).