tetrakis(2,3-dihydroxypropanoic acid);silane

C12H28O16Si — CID 174191422

IUPACtetrakis(2,3-dihydroxypropanoic acid);silane
SMILESO=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.[SiH4]
InChIInChI=1S/4C3H6O4.H4Si/c4*4-1-2(5)3(6)7;/h4*2,4-5H,1H2,(H,6,7);1H4
InChIKeyCBOVEALVVNPVTE-UHFFFAOYSA-N
MW456.43 g/mol
LogP-7.75
Rot. Bonds8

About tetrakis(2,3-dihydroxypropanoic acid);silane

tetrakis(2,3-dihydroxypropanoic acid);silane (PubChem CID 174191422) has the molecular formula C12H28O16Si and a molecular weight of 456.43 g/mol. Its IUPAC name is tetrakis(2,3-dihydroxypropanoic acid);silane.

Molecular Properties

Compound Nametetrakis(2,3-dihydroxypropanoic acid);silane
PubChem CID174191422
Molecular FormulaC12H28O16Si
Molecular Weight456.43 g/mol
Exact Mass456.11
IUPAC Nametetrakis(2,3-dihydroxypropanoic acid);silane
SMILESO=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.[SiH4]
InChIInChI=1S/4C3H6O4.H4Si/c4*4-1-2(5)3(6)7;/h4*2,4-5H,1H2,(H,6,7);1H4
InChIKeyCBOVEALVVNPVTE-UHFFFAOYSA-N
XLogP-7.75
TPSA311.04 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500456.43
LogP ≤ 5-7.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropanoic acid
CID 175601105
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477
CID 158303129
CID 158303129
CID 156591905
CID 156591905
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 tetrakis(2,3-dihydroxypropanoic acid);silane?
The IUPAC name of tetrakis(2,3-dihydroxypropanoic acid);silane (CID 174191422) is tetrakis(2,3-dihydroxypropanoic acid);silane.
What is the SMILES notation for tetrakis(2,3-dihydroxypropanoic acid);silane?
The canonical SMILES for tetrakis(2,3-dihydroxypropanoic acid);silane is O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.[SiH4].
What is the InChIKey of tetrakis(2,3-dihydroxypropanoic acid);silane?
The InChIKey is CBOVEALVVNPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H6O4.H4Si/c4*4-1-2(5)3(6)7;/h4*2,4-5H,1H2,(H,6,7);1H4.
What are the key properties of tetrakis(2,3-dihydroxypropanoic acid);silane?
tetrakis(2,3-dihydroxypropanoic acid);silane has a molecular weight of 456.43 g/mol, XLogP of -7.75, 8 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,3-dihydroxypropanoic acid);silane is sourced from PubChem (CID 174191422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).