sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium

C3H3NaO5P+ — CID 23709778

IUPACsodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
SMILESO=C1OCC([P+](=O)[O-])O1.[Na+]
InChIInChI=1S/C3H3O5P.Na/c4-3-7-1-2(8-3)9(5)6;/h2H,1H2;/q;+1
InChIKeyHPEDHHVIQNVQBK-UHFFFAOYSA-N
MW173.02 g/mol
LogP-3.41
Rot. Bonds1

About sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium

sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium (PubChem CID 23709778) has the molecular formula C3H3NaO5P+ and a molecular weight of 173.02 g/mol. Its IUPAC name is sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium.

Molecular Properties

Compound Namesodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
PubChem CID23709778
Molecular FormulaC3H3NaO5P+
Molecular Weight173.02 g/mol
Exact Mass172.96
IUPAC Namesodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
SMILESO=C1OCC([P+](=O)[O-])O1.[Na+]
InChIInChI=1S/C3H3O5P.Na/c4-3-7-1-2(8-3)9(5)6;/h2H,1H2;/q;+1
InChIKeyHPEDHHVIQNVQBK-UHFFFAOYSA-N
XLogP-3.41
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.02
LogP ≤ 5-3.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 172774171
CID 172774171
3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
CID 130463840
(3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one
CID 156664204
1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
CID 157198471
4,5-dihydroxy-1,3-dioxan-2-one
CID 139816851
4-[5-[5-[5-[2,2-dioxo-5-[2-oxo-5-[2-oxo-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]-1,3,2-dioxathiolan-4-yl]-2,2-dioxo-1,3,2-dioxathiolan-4-yl]-2,2-dioxo-1,3,2-dioxathiolan-4-yl]-2-oxo-1,3-dioxolan-4-yl]-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
CID 167202584
4-(bromomethyl)-1,3-dioxolan-2-one
CID 13226941
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
(2-oxo-1,3-dioxolan-4-yl) hypofluorite
CID 118636639
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one
CID 118347041
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126

Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The IUPAC name of sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium (CID 23709778) is sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium.
What is the SMILES notation for sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The canonical SMILES for sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium is O=C1OCC([P+](=O)[O-])O1.[Na+].
What is the InChIKey of sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The InChIKey is HPEDHHVIQNVQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3O5P.Na/c4-3-7-1-2(8-3)9(5)6;/h2H,1H2;/q;+1.
What are the key properties of sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium has a molecular weight of 173.02 g/mol, XLogP of -3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium is sourced from PubChem (CID 23709778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).