trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate

C3H13Na3O8P2 — CID 174828958

IUPACtrisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
SMILESC=CCOP(=O)(O)O.O=P(O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C3H7O4P.3Na.H3O4P.3H/c1-2-3-7-8(4,5)6;;;;1-5(2,3)4;;;/h2H,1,3H2,(H2,4,5,6);;;;(H3,1,2,3,4);;;/q;3*+1;;3*-1
InChIKeyBETDWHKJWCFDRZ-UHFFFAOYSA-N
MW308.05 g/mol
LogP-9.30
Rot. Bonds3

About trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate

trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate (PubChem CID 174828958) has the molecular formula C3H13Na3O8P2 and a molecular weight of 308.05 g/mol. Its IUPAC name is trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate.

Molecular Properties

Compound Nametrisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
PubChem CID174828958
Molecular FormulaC3H13Na3O8P2
Molecular Weight308.05 g/mol
Exact Mass307.98
IUPAC Nametrisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
SMILESC=CCOP(=O)(O)O.O=P(O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C3H7O4P.3Na.H3O4P.3H/c1-2-3-7-8(4,5)6;;;;1-5(2,3)4;;;/h2H,1,3H2,(H2,4,5,6);;;;(H3,1,2,3,4);;;/q;3*+1;;3*-1
InChIKeyBETDWHKJWCFDRZ-UHFFFAOYSA-N
XLogP-9.30
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.05
LogP ≤ 5-9.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;prop-2-enyl dihydrogen phosphate
CID 87755414
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883
disodium;prop-2-enyl phosphate
CID 87157623
zinc prop-2-enyl phosphate
CID 87515855
3-methylbut-2-enyl dihydrogen phosphate;phosphoric acid
CID 174360920
1-bis(prop-2-enoxy)phosphorylprop-2-en-1-one
CID 141060498
prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)
CID 173050176
disodium bis(carboxy(prop-2-enoxy)phosphinate)
CID 173451662
3,3-dichloroprop-2-enyl dihydrogen phosphate
CID 87692157
(3-phosphonooxy-1-prop-2-enoyloxyprop-1-enyl) prop-2-enoate
CID 87447167

Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate?
The IUPAC name of trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate (CID 174828958) is trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate.
What is the SMILES notation for trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate?
The canonical SMILES for trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate is C=CCOP(=O)(O)O.O=P(O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate?
The InChIKey is BETDWHKJWCFDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4P.3Na.H3O4P.3H/c1-2-3-7-8(4,5)6;;;;1-5(2,3)4;;;/h2H,1,3H2,(H2,4,5,6);;;;(H3,1,2,3,4);;;/q;3*+1;;3*-1.
What are the key properties of trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate?
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate has a molecular weight of 308.05 g/mol, XLogP of -9.30, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate is sourced from PubChem (CID 174828958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).