disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate

C10H19Na2O7P — CID 20706015

IUPACdisodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate
SMILESCC1(C)C(CO)OC(OP(=O)([O-])[O-])C(C)(C)C1O.[Na+].[Na+]
InChIInChI=1S/C10H21O7P.2Na/c1-9(2)6(5-11)16-8(17-18(13,14)15)10(3,4)7(9)12;;/h6-8,11-12H,5H2,1-4H3,(H2,13,14,15);;/q;2*+1/p-2
InChIKeyRXHVYJZXKFGLHA-UHFFFAOYSA-L
MW328.21 g/mol
LogP-7.03
Rot. Bonds3

About disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate

disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate (PubChem CID 20706015) has the molecular formula C10H19Na2O7P and a molecular weight of 328.21 g/mol. Its IUPAC name is disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate.

Molecular Properties

Compound Namedisodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate
PubChem CID20706015
Molecular FormulaC10H19Na2O7P
Molecular Weight328.21 g/mol
Exact Mass328.07
IUPAC Namedisodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate
SMILESCC1(C)C(CO)OC(OP(=O)([O-])[O-])C(C)(C)C1O.[Na+].[Na+]
InChIInChI=1S/C10H21O7P.2Na/c1-9(2)6(5-11)16-8(17-18(13,14)15)10(3,4)7(9)12;;/h6-8,11-12H,5H2,1-4H3,(H2,13,14,15);;/q;2*+1/p-2
InChIKeyRXHVYJZXKFGLHA-UHFFFAOYSA-L
XLogP-7.03
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 5-7.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol
CID 20705986
[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 20849130
[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 23421196
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 25244208
disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 163203406
disodium;[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 67062915
[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 135041657
[(2R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 134692034
dipotassium;[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 135397146
diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 11543311
dipotassium;[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 140567999
dipotassium;[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 16760444

Frequently Asked Questions

What is the IUPAC name of disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate?
The IUPAC name of disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate (CID 20706015) is disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate.
What is the SMILES notation for disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate?
The canonical SMILES for disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate is CC1(C)C(CO)OC(OP(=O)([O-])[O-])C(C)(C)C1O.[Na+].[Na+].
What is the InChIKey of disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate?
The InChIKey is RXHVYJZXKFGLHA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H21O7P.2Na/c1-9(2)6(5-11)16-8(17-18(13,14)15)10(3,4)7(9)12;;/h6-8,11-12H,5H2,1-4H3,(H2,13,14,15);;/q;2*+1/p-2.
What are the key properties of disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate?
disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate has a molecular weight of 328.21 g/mol, XLogP of -7.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate is sourced from PubChem (CID 20706015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).