chloro 2,3-dihydroxypropyl phosphate

C3H7ClO6P- — CID 22670557

IUPACchloro 2,3-dihydroxypropyl phosphate
SMILESO=P([O-])(OCl)OCC(O)CO
InChIInChI=1S/C3H8ClO6P/c4-10-11(7,8)9-2-3(6)1-5/h3,5-6H,1-2H2,(H,7,8)/p-1
InChIKeyKYTSEHLBGYCEBO-UHFFFAOYSA-M
MW205.51 g/mol
LogP-1.00
Rot. Bonds5

About chloro 2,3-dihydroxypropyl phosphate

chloro 2,3-dihydroxypropyl phosphate (PubChem CID 22670557) has the molecular formula C3H7ClO6P- and a molecular weight of 205.51 g/mol. Its IUPAC name is chloro 2,3-dihydroxypropyl phosphate.

Molecular Properties

Compound Namechloro 2,3-dihydroxypropyl phosphate
PubChem CID22670557
Molecular FormulaC3H7ClO6P-
Molecular Weight205.51 g/mol
Exact Mass204.97
IUPAC Namechloro 2,3-dihydroxypropyl phosphate
SMILESO=P([O-])(OCl)OCC(O)CO
InChIInChI=1S/C3H8ClO6P/c4-10-11(7,8)9-2-3(6)1-5/h3,5-6H,1-2H2,(H,7,8)/p-1
InChIKeyKYTSEHLBGYCEBO-UHFFFAOYSA-M
XLogP-1.00
TPSA99.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.51
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466
(2S)-2-azaniumyl-3-[[(2R)-2,3-dihydroxypropoxy]-oxidophosphoryl]oxypropanoate
CID 57339260
[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate
CID 172836659
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
disodium;1,3-dihydroxypropan-2-yl hydrogen phosphate;2,3-dihydroxypropyl hydrogen phosphate;hydrate
CID 134128771

Frequently Asked Questions

What is the IUPAC name of chloro 2,3-dihydroxypropyl phosphate?
The IUPAC name of chloro 2,3-dihydroxypropyl phosphate (CID 22670557) is chloro 2,3-dihydroxypropyl phosphate.
What is the SMILES notation for chloro 2,3-dihydroxypropyl phosphate?
The canonical SMILES for chloro 2,3-dihydroxypropyl phosphate is O=P([O-])(OCl)OCC(O)CO.
What is the InChIKey of chloro 2,3-dihydroxypropyl phosphate?
The InChIKey is KYTSEHLBGYCEBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8ClO6P/c4-10-11(7,8)9-2-3(6)1-5/h3,5-6H,1-2H2,(H,7,8)/p-1.
What are the key properties of chloro 2,3-dihydroxypropyl phosphate?
chloro 2,3-dihydroxypropyl phosphate has a molecular weight of 205.51 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2,3-dihydroxypropyl phosphate is sourced from PubChem (CID 22670557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).