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

C6H11Na2O9P — CID 45052218

IUPACdisodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
SMILESO=P([O-])([O-])OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+]
InChIInChI=1S/C6H13O9P.2Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3-,4+,5+,6?;;/m1../s1
InChIKeyCHIBNKGHYAQTQY-FDRGOYNVSA-L
MW304.10 g/mol
LogP-10.36
Rot. Bonds3

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

disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate (PubChem CID 45052218) has the molecular formula C6H11Na2O9P and a molecular weight of 304.10 g/mol. Its IUPAC name is disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate.

Molecular Properties

Compound Namedisodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
PubChem CID45052218
Molecular FormulaC6H11Na2O9P
Molecular Weight304.10 g/mol
Exact Mass303.99
IUPAC Namedisodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
SMILESO=P([O-])([O-])OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+]
InChIInChI=1S/C6H13O9P.2Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3-,4+,5+,6?;;/m1../s1
InChIKeyCHIBNKGHYAQTQY-FDRGOYNVSA-L
XLogP-10.36
TPSA162.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 5-10.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
[(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,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
CID 24794356
barium(2+);[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphate;hydrate
CID 45047075
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl phosphate
CID 86289748
CID 131865245
CID 131865245
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505

Frequently Asked Questions

What is the IUPAC name of disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate?
The IUPAC name of disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate (CID 45052218) is disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate.
What is the SMILES notation for disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate?
The canonical SMILES for disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate is O=P([O-])([O-])OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+].
What is the InChIKey of disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate?
The InChIKey is CHIBNKGHYAQTQY-FDRGOYNVSA-L. The full InChI is InChI=1S/C6H13O9P.2Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3-,4+,5+,6?;;/m1../s1.
What are the key properties of disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate?
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate has a molecular weight of 304.10 g/mol, XLogP of -10.36, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate is sourced from PubChem (CID 45052218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).