disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid

C6H15Na2O8P — CID 173224626

IUPACdisodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid
SMILESO=P(O)(O)C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H13O8P.2Na.2H/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8;;;;/h2-10H,1H2,(H2,11,12,13);;;;/q;2*+1;2*-1/t2-,3-,4+,5+,6+;;;;/m1..../s1
InChIKeyWLPXZQQORJWIRT-NXBORNTFSA-N
MW292.13 g/mol
LogP-8.80
Rot. Bonds2

About disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid

disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid (PubChem CID 173224626) has the molecular formula C6H15Na2O8P and a molecular weight of 292.13 g/mol. Its IUPAC name is disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid.

Molecular Properties

Compound Namedisodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid
PubChem CID173224626
Molecular FormulaC6H15Na2O8P
Molecular Weight292.13 g/mol
Exact Mass292.03
IUPAC Namedisodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid
SMILESO=P(O)(O)C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H13O8P.2Na.2H/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8;;;;/h2-10H,1H2,(H2,11,12,13);;;;/q;2*+1;2*-1/t2-,3-,4+,5+,6+;;;;/m1..../s1
InChIKeyWLPXZQQORJWIRT-NXBORNTFSA-N
XLogP-8.80
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.13
LogP ≤ 5-8.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
CID 66665794
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate
CID 101430180
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
CID 131865245
CID 131865245
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218
[(2R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 51351673
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 23421199
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid?
The IUPAC name of disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid (CID 173224626) is disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid.
What is the SMILES notation for disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid?
The canonical SMILES for disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid is O=P(O)(O)C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid?
The InChIKey is WLPXZQQORJWIRT-NXBORNTFSA-N. The full InChI is InChI=1S/C6H13O8P.2Na.2H/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8;;;;/h2-10H,1H2,(H2,11,12,13);;;;/q;2*+1;2*-1/t2-,3-,4+,5+,6+;;;;/m1..../s1.
What are the key properties of disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid?
disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid has a molecular weight of 292.13 g/mol, XLogP of -8.80, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid is sourced from PubChem (CID 173224626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).