[(2R)-2-hydroxypropyl] dihydrogen phosphate

C3H9O5P — CID 54592392

IUPAC[(2R)-2-hydroxypropyl] dihydrogen phosphate
SMILESC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
InChIKeyPDKDLYHHQBVFJL-GSVOUGTGSA-N
MW156.07 g/mol
LogP-0.52
Rot. Bonds3

About [(2R)-2-hydroxypropyl] dihydrogen phosphate

[(2R)-2-hydroxypropyl] dihydrogen phosphate (PubChem CID 54592392) has the molecular formula C3H9O5P and a molecular weight of 156.07 g/mol. Its IUPAC name is [(2R)-2-hydroxypropyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2-hydroxypropyl] dihydrogen phosphate
PubChem CID54592392
Molecular FormulaC3H9O5P
Molecular Weight156.07 g/mol
Exact Mass156.02
IUPAC Name[(2R)-2-hydroxypropyl] dihydrogen phosphate
SMILESC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
InChIKeyPDKDLYHHQBVFJL-GSVOUGTGSA-N
XLogP-0.52
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.07
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glyceryl 1-phosphate
CID 754
beta-Glycerophosphate
CID 2526
sn-Glycerol 3-phosphate
CID 439162
Monoisopropyl phosphate
CID 15391
Npc321909
CID 7048686
L-alpha-Glycerophosphate
CID 439276
1,3-Dihydroxypropan-2-yl phosphate
CID 3611397
Sn-glycerol 1-phosphate(2-)
CID 7048685
Sodium 2,3-dihydroxypropyl hydrogen phosphate
CID 23672316
Glycerol 1-phosphate(2-)
CID 3707990
b-Glycerophosphate disodium salt hydrate
CID 87292851
1,2,3-Propanetriol, phosphate
CID 82875

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxypropyl] dihydrogen phosphate?
The IUPAC name of [(2R)-2-hydroxypropyl] dihydrogen phosphate (CID 54592392) is [(2R)-2-hydroxypropyl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-2-hydroxypropyl] dihydrogen phosphate?
The canonical SMILES for [(2R)-2-hydroxypropyl] dihydrogen phosphate is C[C@@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R)-2-hydroxypropyl] dihydrogen phosphate?
The InChIKey is PDKDLYHHQBVFJL-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1.
What are the key properties of [(2R)-2-hydroxypropyl] dihydrogen phosphate?
[(2R)-2-hydroxypropyl] dihydrogen phosphate has a molecular weight of 156.07 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxypropyl] dihydrogen phosphate is sourced from PubChem (CID 54592392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).