CID 87311662

C4H8NO6P — CID 87311662

IUPAC—
SMILESN[C@](C(=O)O)([C@H](O)CO)P(=O)=O
InChIInChI=1S/C4H8NO6P/c5-4(3(8)9,12(10)11)2(7)1-6/h2,6-7H,1,5H2,(H,8,9)/t2-,4-/m1/s1
InChIKeyOFXZJZMELUZRBR-VVJJHMBFSA-N
MW197.08 g/mol
LogP-1.75
Rot. Bonds4

About CID 87311662

CID 87311662 (PubChem CID 87311662) has the molecular formula C4H8NO6P and a molecular weight of 197.08 g/mol.

Molecular Properties

Compound NameCID 87311662
PubChem CID87311662
Molecular FormulaC4H8NO6P
Molecular Weight197.08 g/mol
Exact Mass197.01
IUPAC Name—
SMILESN[C@](C(=O)O)([C@H](O)CO)P(=O)=O
InChIInChI=1S/C4H8NO6P/c5-4(3(8)9,12(10)11)2(7)1-6/h2,6-7H,1,5H2,(H,8,9)/t2-,4-/m1/s1
InChIKeyOFXZJZMELUZRBR-VVJJHMBFSA-N
XLogP-1.75
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide
CID 87416618
3-aminopropane-1,2-diol;oxalic acid
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propane-1,2,3-triol;urea;hydrate
CID 174420698
(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
CID 175181996
2-amino-2-formyl-3-hydroxy-4-methylsulfanylbutanoic acid
CID 139238789
acetic acid;3-aminopropane-1,2-diol
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(4S)-3,3,4,5-tetrahydroxypentan-2-one
CID 102208371
3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 141219993
(2S)-2-amino-3-hydroxy-2-methylhexanoic acid
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3,4,5,6-tetrahydroxy-3,4-dimethyl-2-oxohexanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 87311662?
The IUPAC name of CID 87311662 (CID 87311662) is not available.
What is the SMILES notation for CID 87311662?
The canonical SMILES for CID 87311662 is N[C@](C(=O)O)([C@H](O)CO)P(=O)=O.
What is the InChIKey of CID 87311662?
The InChIKey is OFXZJZMELUZRBR-VVJJHMBFSA-N. The full InChI is InChI=1S/C4H8NO6P/c5-4(3(8)9,12(10)11)2(7)1-6/h2,6-7H,1,5H2,(H,8,9)/t2-,4-/m1/s1.
What are the key properties of CID 87311662?
CID 87311662 has a molecular weight of 197.08 g/mol, XLogP of -1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87311662 is sourced from PubChem (CID 87311662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).