(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide

C6H11N3O5 — CID 169205481

IUPAC(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O5/c1-2(10)3(11)4(12)5(13)6(14)8-9-7/h2-5,10-13H,1H3/t2-,3-,4+,5+/m1/s1
InChIKeyXLIBXVGJEKMHNN-MBMOQRBOSA-N
MW205.17 g/mol
LogP-1.71
Rot. Bonds4

About (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide

(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide (PubChem CID 169205481) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide
PubChem CID169205481
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O5/c1-2(10)3(11)4(12)5(13)6(14)8-9-7/h2-5,10-13H,1H3/t2-,3-,4+,5+/m1/s1
InChIKeyXLIBXVGJEKMHNN-MBMOQRBOSA-N
XLogP-1.71
TPSA146.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-4,5,6,7-tetrahydroxyoctan-3-one
CID 175461234
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyheptan-2-one
CID 21126247
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
(3S,4R,5R,6S)-3,4,5,6-tetrahydroxyheptan-2-one
CID 89239779
1-azido-3,4,5-trihydroxyhexan-2-one
CID 54515836
2-ethylpropanedioyl diazide
CID 86655983
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
CID 101160606
heptane-2,3,4,5,6-pentol
CID 59809248
(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
N-diazocarbamoyl fluoride
CID 71358879
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide
CID 89407664

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide?
The IUPAC name of (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide (CID 169205481) is (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide.
What is the SMILES notation for (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide?
The canonical SMILES for (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide is C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N=[N+]=[N-].
What is the InChIKey of (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide?
The InChIKey is XLIBXVGJEKMHNN-MBMOQRBOSA-N. The full InChI is InChI=1S/C6H11N3O5/c1-2(10)3(11)4(12)5(13)6(14)8-9-7/h2-5,10-13H,1H3/t2-,3-,4+,5+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide?
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide has a molecular weight of 205.17 g/mol, XLogP of -1.71, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide is sourced from PubChem (CID 169205481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).