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

C6H12N3O5- — CID 89407664

IUPAC(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide
SMILESC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O.[N-]=[N+]=[N-]
InChIInChI=1S/C6H12O5.N3/c1-3(8)5(10)6(11)4(9)2-7;1-3-2/h2-6,8-11H,1H3;/q;-1/t3-,4+,5+,6-;/m0./s1
InChIKeyOEJBPIDBOWOFRC-NQZVPSPJSA-N
MW206.18 g/mol
LogP-1.49
Rot. Bonds4

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

(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide (PubChem CID 89407664) has the molecular formula C6H12N3O5- and a molecular weight of 206.18 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide
PubChem CID89407664
Molecular FormulaC6H12N3O5-
Molecular Weight206.18 g/mol
Exact Mass206.08
IUPAC Name(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide
SMILESC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O.[N-]=[N+]=[N-]
InChIInChI=1S/C6H12O5.N3/c1-3(8)5(10)6(11)4(9)2-7;1-3-2/h2-6,8-11H,1H3;/q;-1/t3-,4+,5+,6-;/m0./s1
InChIKeyOEJBPIDBOWOFRC-NQZVPSPJSA-N
XLogP-1.49
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy(1,2,3,4,5,6-13C6)hexanal
CID 131953208
ethane;2,3,4,5-tetrahydroxyhexanal
CID 174774074
2-oxopropanoic acid;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CID 157349570
azane;nitric acid;2,3,4,5-tetrahydroxyhexanal
CID 174863024
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87725092
prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal
CID 87645178
furan;2,3,4,5-tetrahydroxyhexanal
CID 174834063
(2S)-2-amino-3-methylbutanoic acid;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CID 87877287
ethanol;propane-1,2,3-triol;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 163871444

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide?
The IUPAC name of (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide (CID 89407664) is (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide.
What is the SMILES notation for (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide?
The canonical SMILES for (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal 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,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide?
The InChIKey is OEJBPIDBOWOFRC-NQZVPSPJSA-N. The full InChI is InChI=1S/C6H12O5.N3/c1-3(8)5(10)6(11)4(9)2-7;1-3-2/h2-6,8-11H,1H3;/q;-1/t3-,4+,5+,6-;/m0./s1.
What are the key properties of (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide?
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide has a molecular weight of 206.18 g/mol, XLogP of -1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide is sourced from PubChem (CID 89407664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).