disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate

C6H11Na2O9P — CID 154703741

IUPACdisodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate
SMILESC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C6H13O9P.2Na/c1-2(7)3(8)4(9)5(10)6(11)15-16(12,13)14;;/h2-5,7-10H,1H3,(H2,12,13,14);;/q;2*+1/p-2/t2-,3+,4+,5-;;/m0../s1
InChIKeyJQKUFGHFOLJBBD-RNKDVVNVSA-L
MW304.10 g/mol
LogP-10.17
Rot. Bonds5

About disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate

disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate (PubChem CID 154703741) has the molecular formula C6H11Na2O9P and a molecular weight of 304.10 g/mol. Its IUPAC name is disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate.

Molecular Properties

Compound Namedisodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate
PubChem CID154703741
Molecular FormulaC6H11Na2O9P
Molecular Weight304.10 g/mol
Exact Mass303.99
IUPAC Namedisodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate
SMILESC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C6H13O9P.2Na/c1-2(7)3(8)4(9)5(10)6(11)15-16(12,13)14;;/h2-5,7-10H,1H3,(H2,12,13,14);;/q;2*+1/p-2/t2-,3+,4+,5-;;/m0../s1
InChIKeyJQKUFGHFOLJBBD-RNKDVVNVSA-L
XLogP-10.17
TPSA170.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 5-10.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate?
The IUPAC name of disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate (CID 154703741) is disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate.
What is the SMILES notation for disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate?
The canonical SMILES for disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate is C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate?
The InChIKey is JQKUFGHFOLJBBD-RNKDVVNVSA-L. The full InChI is InChI=1S/C6H13O9P.2Na/c1-2(7)3(8)4(9)5(10)6(11)15-16(12,13)14;;/h2-5,7-10H,1H3,(H2,12,13,14);;/q;2*+1/p-2/t2-,3+,4+,5-;;/m0../s1.
What are the key properties of disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate?
disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate has a molecular weight of 304.10 g/mol, XLogP of -10.17, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoyl] phosphate is sourced from PubChem (CID 154703741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).