1,1'-biphenyl;2,3-dihydroxybutanedioic acid

C16H16O6 — CID 70563433

IUPAC1,1'-biphenyl;2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H6O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;5-1(3(7)8)2(6)4(9)10/h1-10H;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyIPMHQPAZBMJZQH-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.23
Rot. Bonds4

About 1,1'-biphenyl;2,3-dihydroxybutanedioic acid

1,1'-biphenyl;2,3-dihydroxybutanedioic acid (PubChem CID 70563433) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1,1'-biphenyl;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name1,1'-biphenyl;2,3-dihydroxybutanedioic acid
PubChem CID70563433
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name1,1'-biphenyl;2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H6O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;5-1(3(7)8)2(6)4(9)10/h1-10H;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyIPMHQPAZBMJZQH-UHFFFAOYSA-N
XLogP1.23
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

benzaldehyde;2,3-dihydroxybutanedioic acid
CID 159567937
(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline
CID 175728573
bis(benzonitrile);2,3-dihydroxybutanedioic acid
CID 174576912
(2R,3R)-2,3-dihydroxybutanedioic acid;1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium
CID 139205049
bis(1,1'-biphenyl);carbonate
CID 23514328
N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
CID 175540511
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2,3-dihydroxybutanedioic acid?
The IUPAC name of 1,1'-biphenyl;2,3-dihydroxybutanedioic acid (CID 70563433) is 1,1'-biphenyl;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for 1,1'-biphenyl;2,3-dihydroxybutanedioic acid?
The canonical SMILES for 1,1'-biphenyl;2,3-dihydroxybutanedioic acid is O=C(O)C(O)C(O)C(=O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2,3-dihydroxybutanedioic acid?
The InChIKey is IPMHQPAZBMJZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H6O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;5-1(3(7)8)2(6)4(9)10/h1-10H;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 1,1'-biphenyl;2,3-dihydroxybutanedioic acid?
1,1'-biphenyl;2,3-dihydroxybutanedioic acid has a molecular weight of 304.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 70563433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).