trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium

C2H10O7P2+2 — CID 6393936

IUPACtrihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium
SMILESCC(O)([P+](O)(O)O)[P+](O)(O)O
InChIInChI=1S/C2H10O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3-9H,1H3/q+2
InChIKeyNIWAAPSEOZXTPT-UHFFFAOYSA-N
MW208.04 g/mol
LogP-1.87
Rot. Bonds2

About trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium

trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium (PubChem CID 6393936) has the molecular formula C2H10O7P2+2 and a molecular weight of 208.04 g/mol. Its IUPAC name is trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium
PubChem CID6393936
Molecular FormulaC2H10O7P2+2
Molecular Weight208.04 g/mol
Exact Mass207.99
IUPAC Nametrihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium
SMILESCC(O)([P+](O)(O)O)[P+](O)(O)O
InChIInChI=1S/C2H10O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3-9H,1H3/q+2
InChIKeyNIWAAPSEOZXTPT-UHFFFAOYSA-N
XLogP-1.87
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.04
LogP ≤ 5-1.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
2-methylpropane-1,1,2-triol
CID 22500679
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
1-aminopropane-1,2,2-triol
CID 89487611
3-tert-butyl-4,4-dimethylpentan-2-ol
CID 59805518
ethane-1,1,1-triol;methoxymethanediol
CID 158946660
2,3-dimethyl(213C)butan-2-ol
CID 100985919
lithium 2-methylpropan-2-ol
CID 21120036
methane;2-methylpropan-2-ol
CID 157161859
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
2-methylpropan-2-ol;neodymium
CID 154348927

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium?
The IUPAC name of trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium (CID 6393936) is trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium.
What is the SMILES notation for trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium?
The canonical SMILES for trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium is CC(O)([P+](O)(O)O)[P+](O)(O)O.
What is the InChIKey of trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium?
The InChIKey is NIWAAPSEOZXTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3-9H,1H3/q+2.
What are the key properties of trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium?
trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium has a molecular weight of 208.04 g/mol, XLogP of -1.87, 2 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium is sourced from PubChem (CID 6393936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).