[(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid

C6H15NO11P2 — CID 87558180

IUPAC[(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid
SMILESN[C@@H](C(=O)P(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO11P2/c7-3(5(11)4(10)2(9)1-8)6(12)19(13,14)18-20(15,16)17/h2-5,8-11H,1,7H2,(H,13,14)(H2,15,16,17)/t2-,3-,4-,5-/m1/s1
InChIKeyPNZGIZQMFGVEGV-TXICZTDVSA-N
MW339.13 g/mol
LogP-3.79
Rot. Bonds8

About [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid

[(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid (PubChem CID 87558180) has the molecular formula C6H15NO11P2 and a molecular weight of 339.13 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid
PubChem CID87558180
Molecular FormulaC6H15NO11P2
Molecular Weight339.13 g/mol
Exact Mass339.01
IUPAC Name[(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid
SMILESN[C@@H](C(=O)P(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO11P2/c7-3(5(11)4(10)2(9)1-8)6(12)19(13,14)18-20(15,16)17/h2-5,8-11H,1,7H2,(H,13,14)(H2,15,16,17)/t2-,3-,4-,5-/m1/s1
InChIKeyPNZGIZQMFGVEGV-TXICZTDVSA-N
XLogP-3.79
TPSA228.07 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.13
LogP ≤ 5-3.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxy-phosphonooxyphosphoryl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 87521416
phosphono (2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate
CID 87139786
2,3,4,5,6-pentahydroxyhexanal;phosphono dihydrogen phosphate
CID 135285818
(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one
CID 22797763
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
(2R,3S,4R,5R)-N-acetyl-2,3,4,5,6-pentahydroxyhexanamide;phosphono dihydrogen phosphate
CID 158104006
(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 22816133
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal
CID 175070891
CID 158428296
CID 158428296
[(2S,3S)-1,2,3,4-tetrahydroxybutyl] dihydrogen phosphate
CID 174690101
magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate
CID 174961959
(2S,3S,4S)-2-amino-3,4,5-trihydroxypentanoic acid
CID 11126623

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid?
The IUPAC name of [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid (CID 87558180) is [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid.
What is the SMILES notation for [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid?
The canonical SMILES for [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid is N[C@@H](C(=O)P(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid?
The InChIKey is PNZGIZQMFGVEGV-TXICZTDVSA-N. The full InChI is InChI=1S/C6H15NO11P2/c7-3(5(11)4(10)2(9)1-8)6(12)19(13,14)18-20(15,16)17/h2-5,8-11H,1,7H2,(H,13,14)(H2,15,16,17)/t2-,3-,4-,5-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid?
[(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid has a molecular weight of 339.13 g/mol, XLogP of -3.79, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoyl]-phosphonooxyphosphinic acid is sourced from PubChem (CID 87558180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).