(2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid

C9H17N3O6 — CID 101153114

IUPAC(2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid
SMILESCO[C@H]([C@H](OC)[C@@H](OC)C(=O)O)[C@H](O)CN=[N+]=[N-]
InChIInChI=1S/C9H17N3O6/c1-16-6(5(13)4-11-12-10)7(17-2)8(18-3)9(14)15/h5-8,13H,4H2,1-3H3,(H,14,15)/t5-,6+,7+,8-/m1/s1
InChIKeyAZDGVKKOHZWETR-VGRMVHKJSA-N
MW263.25 g/mol
LogP-0.21
Rot. Bonds9

About (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid

(2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid (PubChem CID 101153114) has the molecular formula C9H17N3O6 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid.

Molecular Properties

Compound Name(2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid
PubChem CID101153114
Molecular FormulaC9H17N3O6
Molecular Weight263.25 g/mol
Exact Mass263.11
IUPAC Name(2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid
SMILESCO[C@H]([C@H](OC)[C@@H](OC)C(=O)O)[C@H](O)CN=[N+]=[N-]
InChIInChI=1S/C9H17N3O6/c1-16-6(5(13)4-11-12-10)7(17-2)8(18-3)9(14)15/h5-8,13H,4H2,1-3H3,(H,14,15)/t5-,6+,7+,8-/m1/s1
InChIKeyAZDGVKKOHZWETR-VGRMVHKJSA-N
XLogP-0.21
TPSA133.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-3-methylpentan-2-ol
CID 116691796
(2R)-3-azido-2-methylpropanoic acid
CID 13116883
[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid
CID 118525657
1-azido-4,5,6-trihydroxy-2-methoxyhexan-3-one
CID 54353674
[(2R,3S,4S,5R)-2,4-diacetamido-6-azido-5-hydroxy-1-oxohexan-3-yl] acetate
CID 175168067
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
7-azido-4,5-dihydroxy-6-methoxyheptan-3-one
CID 23392928
(2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid
CID 122451171
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
CID 162717706
(2R,3S)-2-amino-4-azido-3-hydroxybutanoate
CID 135081181
(2R,3R)-4-azido-3-methyl-2-phenylmethoxybutanoic acid
CID 157294780

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid?
The IUPAC name of (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid (CID 101153114) is (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid.
What is the SMILES notation for (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid?
The canonical SMILES for (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid is CO[C@H]([C@H](OC)[C@@H](OC)C(=O)O)[C@H](O)CN=[N+]=[N-].
What is the InChIKey of (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid?
The InChIKey is AZDGVKKOHZWETR-VGRMVHKJSA-N. The full InChI is InChI=1S/C9H17N3O6/c1-16-6(5(13)4-11-12-10)7(17-2)8(18-3)9(14)15/h5-8,13H,4H2,1-3H3,(H,14,15)/t5-,6+,7+,8-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid?
(2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid has a molecular weight of 263.25 g/mol, XLogP of -0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid is sourced from PubChem (CID 101153114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).