CID 156591905

C3H6CaO4 — CID 156591905

IUPAC—
SMILESO=C(O)[C@@H](O)CO.[Ca]
InChIInChI=1S/C3H6O4.Ca/c4-1-2(5)3(6)7;/h2,4-5H,1H2,(H,6,7);/t2-;/m0./s1
InChIKeySFSPYQVJHDHQPR-DKWTVANSSA-N
MW146.15 g/mol
LogP-1.96
Rot. Bonds2

About CID 156591905

CID 156591905 (PubChem CID 156591905) has the molecular formula C3H6CaO4 and a molecular weight of 146.15 g/mol.

Molecular Properties

Compound NameCID 156591905
PubChem CID156591905
Molecular FormulaC3H6CaO4
Molecular Weight146.15 g/mol
Exact Mass145.99
IUPAC Name—
SMILESO=C(O)[C@@H](O)CO.[Ca]
InChIInChI=1S/C3H6O4.Ca/c4-1-2(5)3(6)7;/h2,4-5H,1H2,(H,6,7);/t2-;/m0./s1
InChIKeySFSPYQVJHDHQPR-DKWTVANSSA-N
XLogP-1.96
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131873477
CID 131873477
2,3-dihydroxypropanoic acid
CID 175601105
tetrakis(2,3-dihydroxypropanoic acid);silane
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alumane;2,3-dihydroxypropanoic acid
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CID 158303129
CID 158303129
2,3-dihydroxypropanoic acid;2-hydroxyacetic acid
CID 135323776
2,3-dihydroxypropanoic acid;2-oxopropanoic acid
CID 138543895
(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
CID 162142261
2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
CID 87631313
(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid
CID 89157010
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
butanoic acid;2,3-dihydroxypropanoic acid
CID 161118248

Frequently Asked Questions

What is the IUPAC name of CID 156591905?
The IUPAC name of CID 156591905 (CID 156591905) is not available.
What is the SMILES notation for CID 156591905?
The canonical SMILES for CID 156591905 is O=C(O)[C@@H](O)CO.[Ca].
What is the InChIKey of CID 156591905?
The InChIKey is SFSPYQVJHDHQPR-DKWTVANSSA-N. The full InChI is InChI=1S/C3H6O4.Ca/c4-1-2(5)3(6)7;/h2,4-5H,1H2,(H,6,7);/t2-;/m0./s1.
What are the key properties of CID 156591905?
CID 156591905 has a molecular weight of 146.15 g/mol, XLogP of -1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156591905 is sourced from PubChem (CID 156591905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).