2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

C10H20O9 — CID 159318623

IUPAC2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILESCCC(O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O6.C4H8O3/c7-1-3(9)5(11)6(12)4(10)2-8;1-2-3(5)4(6)7/h1,3-6,8-12H,2H2;3,5H,2H2,1H3,(H,6,7)/t3-,4+,5+,6+;/m0./s1
InChIKeyLDLVGHUGZPTLGV-BTVCFUMJSA-N
MW284.26 g/mol
LogP-3.54
Rot. Bonds7

About 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal (PubChem CID 159318623) has the molecular formula C10H20O9 and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Name2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
PubChem CID159318623
Molecular FormulaC10H20O9
Molecular Weight284.26 g/mol
Exact Mass284.11
IUPAC Name2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILESCCC(O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O6.C4H8O3/c7-1-3(9)5(11)6(12)4(10)2-8;1-2-3(5)4(6)7/h1,3-6,8-12H,2H2;3,5H,2H2,1H3,(H,6,7)/t3-,4+,5+,6+;/m0./s1
InChIKeyLDLVGHUGZPTLGV-BTVCFUMJSA-N
XLogP-3.54
TPSA175.75 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.26
LogP ≤ 5-3.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;azane;2,3,4,5,6-pentahydroxyhexanal
CID 174736438
acetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 173049059
2,3-dihydroxybutanedioic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 161465401
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 87378540
but-2-enedioic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 159896498
butanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 157169982

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal (CID 159318623) is 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal is CCC(O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is LDLVGHUGZPTLGV-BTVCFUMJSA-N. The full InChI is InChI=1S/C6H12O6.C4H8O3/c7-1-3(9)5(11)6(12)4(10)2-8;1-2-3(5)4(6)7/h1,3-6,8-12H,2H2;3,5H,2H2,1H3,(H,6,7)/t3-,4+,5+,6+;/m0./s1.
What are the key properties of 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 284.26 g/mol, XLogP of -3.54, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 159318623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).