phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal

C5H13O8P — CID 159198824

IUPACphosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
SMILESC[C@](O)(C=O)[C@H](O)CO.O=P(O)(O)O
InChIInChI=1S/C5H10O4.H3O4P/c1-5(9,3-7)4(8)2-6;1-5(2,3)4/h3-4,6,8-9H,2H2,1H3;(H3,1,2,3,4)/t4-,5+;/m1./s1
InChIKeyKPAAYTACXWHADP-JBUOLDKXSA-N
MW232.12 g/mol
LogP-2.64
Rot. Bonds3

About phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal

phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal (PubChem CID 159198824) has the molecular formula C5H13O8P and a molecular weight of 232.12 g/mol. Its IUPAC name is phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal.

Molecular Properties

Compound Namephosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
PubChem CID159198824
Molecular FormulaC5H13O8P
Molecular Weight232.12 g/mol
Exact Mass232.03
IUPAC Namephosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
SMILESC[C@](O)(C=O)[C@H](O)CO.O=P(O)(O)O
InChIInChI=1S/C5H10O4.H3O4P/c1-5(9,3-7)4(8)2-6;1-5(2,3)4/h3-4,6,8-9H,2H2,1H3;(H3,1,2,3,4)/t4-,5+;/m1./s1
InChIKeyKPAAYTACXWHADP-JBUOLDKXSA-N
XLogP-2.64
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.12
LogP ≤ 5-2.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid
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(2,3,4-trihydroxy-1-oxobutan-2-yl) acetate
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butane-1,2-diol;bis(ditert-butylphosphinic acid)
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(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
CID 54330413
(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol
CID 87921477
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
CID 87292853
CID 87292853
iron;phosphoric acid;propane-1,2,3-triol
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2,3,4,5,6-pentahydroxy-2,4-dimethoxyhexanal
CID 174913015

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal?
The IUPAC name of phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal (CID 159198824) is phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal.
What is the SMILES notation for phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal?
The canonical SMILES for phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal is C[C@](O)(C=O)[C@H](O)CO.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal?
The InChIKey is KPAAYTACXWHADP-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H10O4.H3O4P/c1-5(9,3-7)4(8)2-6;1-5(2,3)4/h3-4,6,8-9H,2H2,1H3;(H3,1,2,3,4)/t4-,5+;/m1./s1.
What are the key properties of phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal?
phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal has a molecular weight of 232.12 g/mol, XLogP of -2.64, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal is sourced from PubChem (CID 159198824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).