arsanyl 2-hydroxy-3-phosphonooxypropanoate

C3H8AsO7P — CID 173000316

IUPACarsanyl 2-hydroxy-3-phosphonooxypropanoate
SMILESO=C(O[AsH2])C(O)COP(=O)(O)O
InChIInChI=1S/C3H8AsO7P/c4-11-3(6)2(5)1-10-12(7,8)9/h2,5H,1,4H2,(H2,7,8,9)
InChIKeyMJCPJESRQRZJMA-UHFFFAOYSA-N
MW261.99 g/mol
LogP-2.45
Rot. Bonds4

About arsanyl 2-hydroxy-3-phosphonooxypropanoate

arsanyl 2-hydroxy-3-phosphonooxypropanoate (PubChem CID 173000316) has the molecular formula C3H8AsO7P and a molecular weight of 261.99 g/mol. Its IUPAC name is arsanyl 2-hydroxy-3-phosphonooxypropanoate.

Molecular Properties

Compound Namearsanyl 2-hydroxy-3-phosphonooxypropanoate
PubChem CID173000316
Molecular FormulaC3H8AsO7P
Molecular Weight261.99 g/mol
Exact Mass261.92
IUPAC Namearsanyl 2-hydroxy-3-phosphonooxypropanoate
SMILESO=C(O[AsH2])C(O)COP(=O)(O)O
InChIInChI=1S/C3H8AsO7P/c4-11-3(6)2(5)1-10-12(7,8)9/h2,5H,1,4H2,(H2,7,8,9)
InChIKeyMJCPJESRQRZJMA-UHFFFAOYSA-N
XLogP-2.45
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.99
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxoethyl 2-hydroxy-3-phosphonooxypropanoate
CID 123508037
3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
CID 113
(2-amino-3-phosphonooxypropanoyl)oxymethyl 2-aminobutanoate
CID 89177803
2-amino-3-hydroxy-4-phosphonooxybutanoic acid
CID 1007
2-amino-3-hydroxy-4-phosphonooxybutanoate
CID 1006
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
(2R,4R)-2,4-dihydroxy-3-oxo-5-phosphonooxy-2-(phosphonooxymethyl)pentanoic acid
CID 102444963
[(3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
CID 45109785
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 10656380
(6-amino-2,3,4,5-tetrahydroxyhexyl) dihydrogen phosphate
CID 175109402
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3,4,5-13C5)pentyl] dihydrogen phosphate
CID 10822726

Frequently Asked Questions

What is the IUPAC name of arsanyl 2-hydroxy-3-phosphonooxypropanoate?
The IUPAC name of arsanyl 2-hydroxy-3-phosphonooxypropanoate (CID 173000316) is arsanyl 2-hydroxy-3-phosphonooxypropanoate.
What is the SMILES notation for arsanyl 2-hydroxy-3-phosphonooxypropanoate?
The canonical SMILES for arsanyl 2-hydroxy-3-phosphonooxypropanoate is O=C(O[AsH2])C(O)COP(=O)(O)O.
What is the InChIKey of arsanyl 2-hydroxy-3-phosphonooxypropanoate?
The InChIKey is MJCPJESRQRZJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8AsO7P/c4-11-3(6)2(5)1-10-12(7,8)9/h2,5H,1,4H2,(H2,7,8,9).
What are the key properties of arsanyl 2-hydroxy-3-phosphonooxypropanoate?
arsanyl 2-hydroxy-3-phosphonooxypropanoate has a molecular weight of 261.99 g/mol, XLogP of -2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for arsanyl 2-hydroxy-3-phosphonooxypropanoate is sourced from PubChem (CID 173000316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).