(2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal

C5H9N3O5 — CID 140534714

IUPAC(2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal
SMILES[N-]=[N+]=NC(O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
InChIInChI=1S/C5H9N3O5/c6-8-7-5(13)4(12)3(11)2(10)1-9/h1-5,10-13H/t2-,3-,4-,5?/m0/s1
InChIKeyAQLZPNLVTUWEEL-OWMBCFKOSA-N
MW191.14 g/mol
LogP-2.10
Rot. Bonds5

About (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal

(2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal (PubChem CID 140534714) has the molecular formula C5H9N3O5 and a molecular weight of 191.14 g/mol. Its IUPAC name is (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Name(2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal
PubChem CID140534714
Molecular FormulaC5H9N3O5
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name(2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal
SMILES[N-]=[N+]=NC(O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
InChIInChI=1S/C5H9N3O5/c6-8-7-5(13)4(12)3(11)2(10)1-9/h1-5,10-13H/t2-,3-,4-,5?/m0/s1
InChIKeyAQLZPNLVTUWEEL-OWMBCFKOSA-N
XLogP-2.10
TPSA146.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide
CID 89407664
CID 87344768
CID 87344768
2-azido-3,4,5,6-tetrahydroxyhexanal
CID 22327929
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(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
(1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid
CID 19890996
[(3S,4S,5S)-6-azido-1,3,4,5,6-pentahydroxy-2-oxohexyl] dihydrogen phosphate
CID 123610918
ethane;2,3,4,5-tetrahydroxyhexanal
CID 174774074
[(2R,3S,4R,5S)-6-azido-3,4-dibenzoyloxy-5,6-dihydroxy-1-oxohexan-2-yl] benzoate
CID 174641728
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal (CID 140534714) is (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal is [N-]=[N+]=NC(O)[C@@H](O)[C@@H](O)[C@@H](O)C=O.
What is the InChIKey of (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal?
The InChIKey is AQLZPNLVTUWEEL-OWMBCFKOSA-N. The full InChI is InChI=1S/C5H9N3O5/c6-8-7-5(13)4(12)3(11)2(10)1-9/h1-5,10-13H/t2-,3-,4-,5?/m0/s1.
What are the key properties of (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal?
(2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal has a molecular weight of 191.14 g/mol, XLogP of -2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-5-azido-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 140534714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).