sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride

C3H10NaO6P — CID 174223594

IUPACsodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride
SMILESO=P(O)(O)OCCC(O)O.[H-].[Na+]
InChIInChI=1S/C3H9O6P.Na.H/c4-3(5)1-2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;+1;-1
InChIKeyKWDFAPZNNSXLDD-UHFFFAOYSA-N
MW196.07 g/mol
LogP-4.09
Rot. Bonds4

About sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride

sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride (PubChem CID 174223594) has the molecular formula C3H10NaO6P and a molecular weight of 196.07 g/mol. Its IUPAC name is sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride.

Molecular Properties

Compound Namesodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride
PubChem CID174223594
Molecular FormulaC3H10NaO6P
Molecular Weight196.07 g/mol
Exact Mass196.01
IUPAC Namesodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride
SMILESO=P(O)(O)OCCC(O)O.[H-].[Na+]
InChIInChI=1S/C3H9O6P.Na.H/c4-3(5)1-2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;+1;-1
InChIKeyKWDFAPZNNSXLDD-UHFFFAOYSA-N
XLogP-4.09
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.07
LogP ≤ 5-4.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid
CID 54394591
[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate
CID 101416301
azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
3,3-dihydroxypropyl ethyl hydrogen phosphate
CID 174883301
potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride
CID 174571533
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
3-prop-2-ynylhex-5-ynyl dihydrogen phosphate
CID 121482602
5-aminohexyl dihydrogen phosphate
CID 18767611
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
(2S)-2-amino-4-hydroxybutanoic acid;(2S)-2-amino-4-phosphonooxybutanoic acid;methane
CID 164952984
3-(2-hydroxyethyl)-2-methylidene-5-phosphonooxypentanoic acid
CID 87186844

Frequently Asked Questions

What is the IUPAC name of sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride?
The IUPAC name of sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride (CID 174223594) is sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride.
What is the SMILES notation for sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride?
The canonical SMILES for sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride is O=P(O)(O)OCCC(O)O.[H-].[Na+].
What is the InChIKey of sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride?
The InChIKey is KWDFAPZNNSXLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O6P.Na.H/c4-3(5)1-2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;+1;-1.
What are the key properties of sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride?
sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride has a molecular weight of 196.07 g/mol, XLogP of -4.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride is sourced from PubChem (CID 174223594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).