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

C6H14NO9P — CID 18638625

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

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

phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate (PubChem CID 18638625) has the molecular formula C6H14NO9P and a molecular weight of 275.15 g/mol. Its IUPAC name is phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate.

Molecular Properties

Compound Namephosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate
PubChem CID18638625
Molecular FormulaC6H14NO9P
Molecular Weight275.15 g/mol
Exact Mass275.04
IUPAC Namephosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate
SMILESN[C@@H](C(=O)OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14NO9P/c7-3(6(12)16-17(13,14)15)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H2,13,14,15)/t2-,3-,4-,5-/m1/s1
InChIKeyBNHPPMVKJAUOCH-TXICZTDVSA-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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Frequently Asked Questions

What is the IUPAC name of phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate?
The IUPAC name of phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate (CID 18638625) is phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate.
What is the SMILES notation for phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate?
The canonical SMILES for phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate is N[C@@H](C(=O)OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate?
The InChIKey is BNHPPMVKJAUOCH-TXICZTDVSA-N. The full InChI is InChI=1S/C6H14NO9P/c7-3(6(12)16-17(13,14)15)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H2,13,14,15)/t2-,3-,4-,5-/m1/s1.
What are the key properties of phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate?
phosphono (2R,3R,4S,5R)-2-amino-3,4,5,6-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,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate is sourced from PubChem (CID 18638625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).