hydroxy dihydrogen phosphate;propane-1,2-diol

C3H11O7P — CID 174923679

IUPAChydroxy dihydrogen phosphate;propane-1,2-diol
SMILESCC(O)CO.O=P(O)(O)OO
InChIInChI=1S/C3H8O2.H3O5P/c1-3(5)2-4;1-5-6(2,3)4/h3-5H,2H2,1H3;1H,(H2,2,3,4)
InChIKeyRLAQFVHJGGLVED-UHFFFAOYSA-N
MW190.09 g/mol
LogP-1.07
Rot. Bonds2

About hydroxy dihydrogen phosphate;propane-1,2-diol

hydroxy dihydrogen phosphate;propane-1,2-diol (PubChem CID 174923679) has the molecular formula C3H11O7P and a molecular weight of 190.09 g/mol. Its IUPAC name is hydroxy dihydrogen phosphate;propane-1,2-diol.

Molecular Properties

Compound Namehydroxy dihydrogen phosphate;propane-1,2-diol
PubChem CID174923679
Molecular FormulaC3H11O7P
Molecular Weight190.09 g/mol
Exact Mass190.02
IUPAC Namehydroxy dihydrogen phosphate;propane-1,2-diol
SMILESCC(O)CO.O=P(O)(O)OO
InChIInChI=1S/C3H8O2.H3O5P/c1-3(5)2-4;1-5-6(2,3)4/h3-5H,2H2,1H3;1H,(H2,2,3,4)
InChIKeyRLAQFVHJGGLVED-UHFFFAOYSA-N
XLogP-1.07
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 5-1.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

propane-1,2-diol
CID 23506506
methoxymethane;propane-1,2-diol
CID 23435252
nitroxyl;propane-1,2-diol
CID 175455323
hydroxy dihydrogen phosphate;vanadium
CID 173088443
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
calcium;hydride;hydroxy dihydrogen phosphate
CID 174606919
CID 158929584
CID 158929584
methanol;propane-1,2-diol;hydrochloride
CID 88632623

Frequently Asked Questions

What is the IUPAC name of hydroxy dihydrogen phosphate;propane-1,2-diol?
The IUPAC name of hydroxy dihydrogen phosphate;propane-1,2-diol (CID 174923679) is hydroxy dihydrogen phosphate;propane-1,2-diol.
What is the SMILES notation for hydroxy dihydrogen phosphate;propane-1,2-diol?
The canonical SMILES for hydroxy dihydrogen phosphate;propane-1,2-diol is CC(O)CO.O=P(O)(O)OO.
What is the InChIKey of hydroxy dihydrogen phosphate;propane-1,2-diol?
The InChIKey is RLAQFVHJGGLVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.H3O5P/c1-3(5)2-4;1-5-6(2,3)4/h3-5H,2H2,1H3;1H,(H2,2,3,4).
What are the key properties of hydroxy dihydrogen phosphate;propane-1,2-diol?
hydroxy dihydrogen phosphate;propane-1,2-diol has a molecular weight of 190.09 g/mol, XLogP of -1.07, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy dihydrogen phosphate;propane-1,2-diol is sourced from PubChem (CID 174923679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).