(2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane

C10H19N3O — CID 126586504

IUPAC(2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane
SMILES[3H][C@H]1C[C@H](C)[C@@H]([C@@H](CCCC)N=[N+]=[N-])O1
InChIInChI=1S/C10H19N3O/c1-3-4-5-9(12-13-11)10-8(2)6-7-14-10/h8-10H,3-7H2,1-2H3/t8-,9+,10-/m0/s1/i7T/t7-,8-,9+,10-
InChIKeyYMHHSXWDUYESPL-OFGFSRKWSA-N
MW199.29 g/mol
LogP3.28
Rot. Bonds5

About (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane

(2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane (PubChem CID 126586504) has the molecular formula C10H19N3O and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane.

Molecular Properties

Compound Name(2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane
PubChem CID126586504
Molecular FormulaC10H19N3O
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane
SMILES[3H][C@H]1C[C@H](C)[C@@H]([C@@H](CCCC)N=[N+]=[N-])O1
InChIInChI=1S/C10H19N3O/c1-3-4-5-9(12-13-11)10-8(2)6-7-14-10/h8-10H,3-7H2,1-2H3/t8-,9+,10-/m0/s1/i7T/t7-,8-,9+,10-
InChIKeyYMHHSXWDUYESPL-OFGFSRKWSA-N
XLogP3.28
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane?
The IUPAC name of (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane (CID 126586504) is (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane.
What is the SMILES notation for (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane?
The canonical SMILES for (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane is [3H][C@H]1C[C@H](C)[C@@H]([C@@H](CCCC)N=[N+]=[N-])O1.
What is the InChIKey of (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane?
The InChIKey is YMHHSXWDUYESPL-OFGFSRKWSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-5-9(12-13-11)10-8(2)6-7-14-10/h8-10H,3-7H2,1-2H3/t8-,9+,10-/m0/s1/i7T/t7-,8-,9+,10-.
What are the key properties of (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane?
(2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane has a molecular weight of 199.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane is sourced from PubChem (CID 126586504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).