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

C6H13O8P — CID 14311455

IUPAC[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate
SMILESC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyPTVXQARCLQPGIR-VFUOTHLCSA-N
MW244.14 g/mol
LogP-2.08
Rot. Bonds2

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

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate (PubChem CID 14311455) has the molecular formula C6H13O8P and a molecular weight of 244.14 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate
PubChem CID14311455
Molecular FormulaC6H13O8P
Molecular Weight244.14 g/mol
Exact Mass244.03
IUPAC Name[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate
SMILESC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyPTVXQARCLQPGIR-VFUOTHLCSA-N
XLogP-2.08
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 5-2.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
CID 67062860
disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
CID 140523799
[(2S,3R,4S,5S,6S)-6-acetyl-3,4,5-trihydroxyoxan-2-yl] dihydrogen phosphate
CID 101011936
[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 67794900
[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 58434201
[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 12773693
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
CID 134857855
[(2S,4R,5S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
CID 123165399
CID 133112741
CID 133112741

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate?
The IUPAC name of [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate (CID 14311455) is [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate is C[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate?
The InChIKey is PTVXQARCLQPGIR-VFUOTHLCSA-N. The full InChI is InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5-,6-/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate?
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate has a molecular weight of 244.14 g/mol, XLogP of -2.08, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate is sourced from PubChem (CID 14311455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).