(4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one

C5H7N3O2 — CID 11051758

IUPAC(4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one
SMILES[2H][C@H]1CC(=O)O[C@@H]1CN=[N+]=[N-]
InChIInChI=1S/C5H7N3O2/c6-8-7-3-4-1-2-5(9)10-4/h4H,1-3H2/t4-/m0/s1/i1D/t1-,4-
InChIKeyROUYWNFHYZLDLL-IFRNNUGHSA-N
MW142.14 g/mol
LogP1.00
Rot. Bonds2

About (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one

(4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one (PubChem CID 11051758) has the molecular formula C5H7N3O2 and a molecular weight of 142.14 g/mol. Its IUPAC name is (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one
PubChem CID11051758
Molecular FormulaC5H7N3O2
Molecular Weight142.14 g/mol
Exact Mass142.06
IUPAC Name(4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one
SMILES[2H][C@H]1CC(=O)O[C@@H]1CN=[N+]=[N-]
InChIInChI=1S/C5H7N3O2/c6-8-7-3-4-1-2-5(9)10-4/h4H,1-3H2/t4-/m0/s1/i1D/t1-,4-
InChIKeyROUYWNFHYZLDLL-IFRNNUGHSA-N
XLogP1.00
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-(Azidomethyl)oxolan-2-one
CID 13416682
5-(Azidomethyl)-3-fluorooxolan-2-one
CID 10920795
5-(Azidomethyl)-3,3-difluorooxolan-2-one
CID 49793726
(5R)-5-(azidomethyl)-3,3-difluorooxolan-2-one
CID 95757491
(5S)-5-(azidomethyl)-3,3-difluorooxolan-2-one
CID 95757492
5-(Azidomethyl)-3-bromooxolan-2-one
CID 10560849
2(3H)-Furanone, 5-(azidomethyl)dihydro-, (S)-
CID 11126355
(5R)-5-(azidomethyl)oxolan-2-one
CID 13416683
5-[[(5-Oxooxolan-2-yl)methyldiazenyl]methyl]oxolan-2-one
CID 17803324
5-(Azidomethyl)-3-methanidyloxolan-2-one;yttrium
CID 58120419
5-Azido-2,3,5-trideoxy-3-C-methyl-D-erythro-pentono-1,4-lactone
CID 130761496
(4S,5S)-5-(azidomethyl)-4-(deuteriomethyl)oxolan-2-one
CID 139776971

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one?
The IUPAC name of (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one (CID 11051758) is (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one.
What is the SMILES notation for (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one?
The canonical SMILES for (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one is [2H][C@H]1CC(=O)O[C@@H]1CN=[N+]=[N-].
What is the InChIKey of (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one?
The InChIKey is ROUYWNFHYZLDLL-IFRNNUGHSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-8-7-3-4-1-2-5(9)10-4/h4H,1-3H2/t4-/m0/s1/i1D/t1-,4-.
What are the key properties of (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one?
(4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one has a molecular weight of 142.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one is sourced from PubChem (CID 11051758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).