disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate

C6H11Na2O8P — CID 67062860

IUPACdisodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
SMILESC[C@H]1O[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+]
InChIInChI=1S/C6H13O8P.2Na/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12;;/h2-9H,1H3,(H2,10,11,12);;/q;2*+1/p-2/t2-,3-,4+,5-,6+;;/m1../s1
InChIKeyJPJQYRZIJVIUSX-UZUGEDCSSA-L
MW288.10 g/mol
LogP-9.33
Rot. Bonds2

About disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate

disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate (PubChem CID 67062860) has the molecular formula C6H11Na2O8P and a molecular weight of 288.10 g/mol. Its IUPAC name is disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate.

Molecular Properties

Compound Namedisodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
PubChem CID67062860
Molecular FormulaC6H11Na2O8P
Molecular Weight288.10 g/mol
Exact Mass288.00
IUPAC Namedisodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
SMILESC[C@H]1O[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+]
InChIInChI=1S/C6H13O8P.2Na/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12;;/h2-9H,1H3,(H2,10,11,12);;/q;2*+1/p-2/t2-,3-,4+,5-,6+;;/m1../s1
InChIKeyJPJQYRZIJVIUSX-UZUGEDCSSA-L
XLogP-9.33
TPSA142.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 5-9.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
CID 140523799
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate
CID 14311455
calcium [(2R,3S)-3-methyloxiran-2-yl] phosphate
CID 141287267
trisodium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonatooxyoxane-2-carboxylate
CID 169441006
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,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 134692034
[(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
dipotassium;[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 135397146
dipotassium;[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 16760444
dipotassium;[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 140567999

Frequently Asked Questions

What is the IUPAC name of disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate?
The IUPAC name of disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate (CID 67062860) is disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate.
What is the SMILES notation for disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate?
The canonical SMILES for disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate is C[C@H]1O[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+].
What is the InChIKey of disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate?
The InChIKey is JPJQYRZIJVIUSX-UZUGEDCSSA-L. The full InChI is InChI=1S/C6H13O8P.2Na/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12;;/h2-9H,1H3,(H2,10,11,12);;/q;2*+1/p-2/t2-,3-,4+,5-,6+;;/m1../s1.
What are the key properties of disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate?
disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate has a molecular weight of 288.10 g/mol, XLogP of -9.33, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate is sourced from PubChem (CID 67062860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).