[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid

C6H14NO7P — CID 87647678

IUPAC[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid
SMILESNP(O)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O
InChIInChI=1S/C6H14NO7P/c7-15(13)14-2-4(10)6(12)5(11)3(9)1-8/h1,3-6,9-13H,2,7H2/t3-,4+,5+,6-,15?/m0/s1
InChIKeyHZYXBFHVNPLXGC-ZRAGXMNUSA-N
MW243.15 g/mol
LogP-3.18
Rot. Bonds7

About [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid

[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid (PubChem CID 87647678) has the molecular formula C6H14NO7P and a molecular weight of 243.15 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid
PubChem CID87647678
Molecular FormulaC6H14NO7P
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC Name[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid
SMILESNP(O)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O
InChIInChI=1S/C6H14NO7P/c7-15(13)14-2-4(10)6(12)5(11)3(9)1-8/h1,3-6,9-13H,2,7H2/t3-,4+,5+,6-,15?/m0/s1
InChIKeyHZYXBFHVNPLXGC-ZRAGXMNUSA-N
XLogP-3.18
TPSA153.47 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.15
LogP ≤ 5-3.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] hydrogen carbonate
CID 87133992
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] 2-oxopropanoate
CID 22871600
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
CID 87521417
CID 89401296
CID 89401296
[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] sulfate
CID 21120827
disodium;[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate
CID 172676675
[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] methanesulfonate
CID 118024182
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid?
The IUPAC name of [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid (CID 87647678) is [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid.
What is the SMILES notation for [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid?
The canonical SMILES for [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid is NP(O)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O.
What is the InChIKey of [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid?
The InChIKey is HZYXBFHVNPLXGC-ZRAGXMNUSA-N. The full InChI is InChI=1S/C6H14NO7P/c7-15(13)14-2-4(10)6(12)5(11)3(9)1-8/h1,3-6,9-13H,2,7H2/t3-,4+,5+,6-,15?/m0/s1.
What are the key properties of [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid?
[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid has a molecular weight of 243.15 g/mol, XLogP of -3.18, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]phosphonamidous acid is sourced from PubChem (CID 87647678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).