(3S,4S)-3-azido-4,5-dihydroxypentanal

C5H9N3O3 — CID 91421144

IUPAC(3S,4S)-3-azido-4,5-dihydroxypentanal
SMILES[N-]=[N+]=N[C@@H](CC=O)[C@H](O)CO
InChIInChI=1S/C5H9N3O3/c6-8-7-4(1-2-9)5(11)3-10/h2,4-5,10-11H,1,3H2/t4-,5+/m0/s1
InChIKeyCCRXJMDIIXJVIC-CRCLSJGQSA-N
MW159.14 g/mol
LogP-0.39
Rot. Bonds5

About (3S,4S)-3-azido-4,5-dihydroxypentanal

(3S,4S)-3-azido-4,5-dihydroxypentanal (PubChem CID 91421144) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is (3S,4S)-3-azido-4,5-dihydroxypentanal.

Molecular Properties

Compound Name(3S,4S)-3-azido-4,5-dihydroxypentanal
PubChem CID91421144
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name(3S,4S)-3-azido-4,5-dihydroxypentanal
SMILES[N-]=[N+]=N[C@@H](CC=O)[C@H](O)CO
InChIInChI=1S/C5H9N3O3/c6-8-7-4(1-2-9)5(11)3-10/h2,4-5,10-11H,1,3H2/t4-,5+/m0/s1
InChIKeyCCRXJMDIIXJVIC-CRCLSJGQSA-N
XLogP-0.39
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,3S)-3-azidobutane-1,2,4-triol
CID 101049712
3-azido-4-methylpentanal
CID 16744415
2-azido-3,4,5,6-tetrahydroxyhexanal
CID 22327929
(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol
CID 11009289
(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
2-azido-3,4-dihydroxybutanoic acid
CID 122531609
(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
CID 10352022
(2S,3S)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 58158430
(2R,3R)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 123374963
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
(2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol
CID 10375192

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-azido-4,5-dihydroxypentanal?
The IUPAC name of (3S,4S)-3-azido-4,5-dihydroxypentanal (CID 91421144) is (3S,4S)-3-azido-4,5-dihydroxypentanal.
What is the SMILES notation for (3S,4S)-3-azido-4,5-dihydroxypentanal?
The canonical SMILES for (3S,4S)-3-azido-4,5-dihydroxypentanal is [N-]=[N+]=N[C@@H](CC=O)[C@H](O)CO.
What is the InChIKey of (3S,4S)-3-azido-4,5-dihydroxypentanal?
The InChIKey is CCRXJMDIIXJVIC-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9N3O3/c6-8-7-4(1-2-9)5(11)3-10/h2,4-5,10-11H,1,3H2/t4-,5+/m0/s1.
What are the key properties of (3S,4S)-3-azido-4,5-dihydroxypentanal?
(3S,4S)-3-azido-4,5-dihydroxypentanal has a molecular weight of 159.14 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-azido-4,5-dihydroxypentanal is sourced from PubChem (CID 91421144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).