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

C6H11Na2O8P — CID 140523799

IUPACdisodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
SMILESCC1O[C@H](OP(=O)([O-])[O-])C(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-CQSOXKQCSA-L
MW288.10 g/mol
LogP-9.33
Rot. Bonds2

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

disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate (PubChem CID 140523799) has the molecular formula C6H11Na2O8P and a molecular weight of 288.10 g/mol. Its IUPAC name is disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate.

Molecular Properties

Compound Namedisodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
PubChem CID140523799
Molecular FormulaC6H11Na2O8P
Molecular Weight288.10 g/mol
Exact Mass288.00
IUPAC Namedisodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
SMILESCC1O[C@H](OP(=O)([O-])[O-])C(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-CQSOXKQCSA-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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Frequently Asked Questions

What is the IUPAC name of disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate?
The IUPAC name of disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate (CID 140523799) is disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate.
What is the SMILES notation for disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate?
The canonical SMILES for disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate is CC1O[C@H](OP(=O)([O-])[O-])C(O)[C@@H](O)[C@@H]1O.[Na+].[Na+].
What is the InChIKey of disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate?
The InChIKey is JPJQYRZIJVIUSX-CQSOXKQCSA-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;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate?
disodium;[(2R,4S,5S)-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;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate is sourced from PubChem (CID 140523799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).