chloro 3-hydroxypropyl hydrogen phosphate

C3H8ClO5P — CID 87143466

IUPACchloro 3-hydroxypropyl hydrogen phosphate
SMILESO=P(O)(OCl)OCCCO
InChIInChI=1S/C3H8ClO5P/c4-9-10(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7)
InChIKeySSAIFKNQCHZFSR-UHFFFAOYSA-N
MW190.52 g/mol
LogP0.66
Rot. Bonds5

About chloro 3-hydroxypropyl hydrogen phosphate

chloro 3-hydroxypropyl hydrogen phosphate (PubChem CID 87143466) has the molecular formula C3H8ClO5P and a molecular weight of 190.52 g/mol. Its IUPAC name is chloro 3-hydroxypropyl hydrogen phosphate.

Molecular Properties

Compound Namechloro 3-hydroxypropyl hydrogen phosphate
PubChem CID87143466
Molecular FormulaC3H8ClO5P
Molecular Weight190.52 g/mol
Exact Mass189.98
IUPAC Namechloro 3-hydroxypropyl hydrogen phosphate
SMILESO=P(O)(OCl)OCCCO
InChIInChI=1S/C3H8ClO5P/c4-9-10(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7)
InChIKeySSAIFKNQCHZFSR-UHFFFAOYSA-N
XLogP0.66
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.52
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
aminomethyl(3-hydroxypropoxy)phosphinic acid
CID 154247476
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
[butoxy(3-hydroxypropoxy)phosphoryl] [hydroxy(3-hydroxypropoxy)phosphoryl] 3-hydroxypropyl phosphate
CID 150987727
2,2-dichloroethenyl 4-(4-hydroxybutoxy)butyl hydrogen phosphate
CID 88831594
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
dibutyl hydrogen phosphate
CID 158586372
3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol
CID 152706719
[hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate;bis(octan-1-ol);oxotitanium
CID 87708864
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
dichloro 4-dichlorooxyphosphoryloxybutyl phosphate
CID 123805772

Frequently Asked Questions

What is the IUPAC name of chloro 3-hydroxypropyl hydrogen phosphate?
The IUPAC name of chloro 3-hydroxypropyl hydrogen phosphate (CID 87143466) is chloro 3-hydroxypropyl hydrogen phosphate.
What is the SMILES notation for chloro 3-hydroxypropyl hydrogen phosphate?
The canonical SMILES for chloro 3-hydroxypropyl hydrogen phosphate is O=P(O)(OCl)OCCCO.
What is the InChIKey of chloro 3-hydroxypropyl hydrogen phosphate?
The InChIKey is SSAIFKNQCHZFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO5P/c4-9-10(6,7)8-3-1-2-5/h5H,1-3H2,(H,6,7).
What are the key properties of chloro 3-hydroxypropyl hydrogen phosphate?
chloro 3-hydroxypropyl hydrogen phosphate has a molecular weight of 190.52 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 3-hydroxypropyl hydrogen phosphate is sourced from PubChem (CID 87143466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).