CID 90938318

C2H8O8P3+ — CID 90938318

IUPAC—
SMILESO=P(=O)CC(P(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C2H7O8P3/c3-11(4)1-2(12(5,6)7)13(8,9)10/h2,5-7H,1H2,(H-,8,9,10)/p+1
InChIKeyRENPADNTGBUWCT-UHFFFAOYSA-O
MW253.00 g/mol
LogP-0.60
Rot. Bonds4

About CID 90938318

CID 90938318 (PubChem CID 90938318) has the molecular formula C2H8O8P3+ and a molecular weight of 253.00 g/mol.

Molecular Properties

Compound NameCID 90938318
PubChem CID90938318
Molecular FormulaC2H8O8P3+
Molecular Weight253.00 g/mol
Exact Mass252.94
IUPAC Name—
SMILESO=P(=O)CC(P(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C2H7O8P3/c3-11(4)1-2(12(5,6)7)13(8,9)10/h2,5-7H,1H2,(H-,8,9,10)/p+1
InChIKeyRENPADNTGBUWCT-UHFFFAOYSA-O
XLogP-0.60
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dihydroxymethylphosphonic acid
CID 13034651
[amino(phosphono)methyl]-trihydroxyphosphanium
CID 89151684
trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium
CID 91025102
dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
CID 155666645
CID 88618709
CID 88618709
1-hydroxypropylphosphonic acid
CID 12625401
(1-hydroxy-3,3-diphosphonopropyl)phosphonic acid
CID 6452463
hydrazine;(1-hydroxy-2-phosphonoethyl)phosphonic acid
CID 158563250
[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
CID 18603786
(3-amino-3-hydroxypropyl)phosphonic acid
CID 57001099
CID 162139470
CID 162139470
azane;hydroxymethylphosphonic acid
CID 175028252

Frequently Asked Questions

What is the IUPAC name of CID 90938318?
The IUPAC name of CID 90938318 (CID 90938318) is not available.
What is the SMILES notation for CID 90938318?
The canonical SMILES for CID 90938318 is O=P(=O)CC(P(=O)(O)O)[P+](O)(O)O.
What is the InChIKey of CID 90938318?
The InChIKey is RENPADNTGBUWCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7O8P3/c3-11(4)1-2(12(5,6)7)13(8,9)10/h2,5-7H,1H2,(H-,8,9,10)/p+1.
What are the key properties of CID 90938318?
CID 90938318 has a molecular weight of 253.00 g/mol, XLogP of -0.60, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90938318 is sourced from PubChem (CID 90938318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).