CID 175948517

C2H8Na5O7P2 — CID 175948517

IUPAC—
SMILESO=P(O)(O)C(CO)P(=O)(O)O.[Na].[Na].[Na].[Na].[Na]
InChIInChI=1S/C2H8O7P2.5Na/c3-1-2(10(4,5)6)11(7,8)9;;;;;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);;;;;
InChIKeyKEFMXZNQHHFARN-UHFFFAOYSA-N
MW320.98 g/mol
LogP-3.24
Rot. Bonds3

About CID 175948517

CID 175948517 (PubChem CID 175948517) has the molecular formula C2H8Na5O7P2 and a molecular weight of 320.98 g/mol.

Molecular Properties

Compound NameCID 175948517
PubChem CID175948517
Molecular FormulaC2H8Na5O7P2
Molecular Weight320.98 g/mol
Exact Mass320.92
IUPAC Name—
SMILESO=P(O)(O)C(CO)P(=O)(O)O.[Na].[Na].[Na].[Na].[Na]
InChIInChI=1S/C2H8O7P2.5Na/c3-1-2(10(4,5)6)11(7,8)9;;;;;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);;;;;
InChIKeyKEFMXZNQHHFARN-UHFFFAOYSA-N
XLogP-3.24
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.98
LogP ≤ 5-3.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3-amino-4-hydroxy-1-phosphonobutyl)phosphonic acid
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CID 87292853
(5-hydroxy-1-phosphonopentyl)phosphonic acid
CID 54062023
1,12,12-triphosphonododecylphosphonic acid
CID 175021519
1,1,5,5-tetraphosphonopentan-3-ylphosphonic acid
CID 137460063
sodium;zinc;hydroxy-(2-hydroxy-1-phosphonatoethyl)phosphinate
CID 155680858
(12-hydroxy-1-phosphonododecyl)phosphonic acid
CID 18962773
[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
CID 18603786
(1-hydroxy-3,3-diphosphonopropyl)phosphonic acid
CID 6452463
CID 162139470
CID 162139470
azane;hydroxymethylphosphonic acid
CID 175028252

Frequently Asked Questions

What is the IUPAC name of CID 175948517?
The IUPAC name of CID 175948517 (CID 175948517) is not available.
What is the SMILES notation for CID 175948517?
The canonical SMILES for CID 175948517 is O=P(O)(O)C(CO)P(=O)(O)O.[Na].[Na].[Na].[Na].[Na].
What is the InChIKey of CID 175948517?
The InChIKey is KEFMXZNQHHFARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O7P2.5Na/c3-1-2(10(4,5)6)11(7,8)9;;;;;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);;;;;.
What are the key properties of CID 175948517?
CID 175948517 has a molecular weight of 320.98 g/mol, XLogP of -3.24, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175948517 is sourced from PubChem (CID 175948517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).