phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate

C6H14NO9P — CID 87093612

IUPACphosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate
SMILESNC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)OP(=O)(O)O
InChIInChI=1S/C6H14NO9P/c7-1-2(8)3(9)4(10)5(11)6(12)16-17(13,14)15/h2-5,8-11H,1,7H2,(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKeyWMLVBDRFQCYNGZ-SQOUGZDYSA-N
MW275.15 g/mol
LogP-3.98
Rot. Bonds6

About phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate

phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate (PubChem CID 87093612) has the molecular formula C6H14NO9P and a molecular weight of 275.15 g/mol. Its IUPAC name is phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate.

Molecular Properties

Compound Namephosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate
PubChem CID87093612
Molecular FormulaC6H14NO9P
Molecular Weight275.15 g/mol
Exact Mass275.04
IUPAC Namephosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate
SMILESNC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)OP(=O)(O)O
InChIInChI=1S/C6H14NO9P/c7-1-2(8)3(9)4(10)5(11)6(12)16-17(13,14)15/h2-5,8-11H,1,7H2,(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKeyWMLVBDRFQCYNGZ-SQOUGZDYSA-N
XLogP-3.98
TPSA190.77 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.15
LogP ≤ 5-3.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

phosphono (2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate
CID 87139786
[hydroxy-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxo-6-phosphonooxyhexan-3-yl]oxyphosphoryl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 87961850
phosphono (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-6-phosphonooxyhexanoate
CID 88507954
(6-amino-2,3,4,5-tetrahydroxyhexyl) dihydrogen phosphate
CID 175109402
[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxy-phosphonooxyphosphoryl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 87521416
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
phosphono 2,2-dihydroxyacetate
CID 18352457
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 87972607
(2S,3R,4S)-5-amino-2,3,4-trihydroxypentanoic acid
CID 135189043
phosphono 2-amino-3-hydroxybutanoate
CID 23421193
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxoheptyl] dihydrogen phosphate
CID 15942876
GLUCONIC ACID 6-(DIHYDROGEN PHOSPHATE), BARIUM SALT
CID 126960458

Frequently Asked Questions

What is the IUPAC name of phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate?
The IUPAC name of phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate (CID 87093612) is phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate.
What is the SMILES notation for phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate?
The canonical SMILES for phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate is NC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)OP(=O)(O)O.
What is the InChIKey of phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate?
The InChIKey is WMLVBDRFQCYNGZ-SQOUGZDYSA-N. The full InChI is InChI=1S/C6H14NO9P/c7-1-2(8)3(9)4(10)5(11)6(12)16-17(13,14)15/h2-5,8-11H,1,7H2,(H2,13,14,15)/t2-,3-,4+,5-/m1/s1.
What are the key properties of phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate?
phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate has a molecular weight of 275.15 g/mol, XLogP of -3.98, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono (2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanoate is sourced from PubChem (CID 87093612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).