(2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol

C7H13N3O4 — CID 3082172

IUPAC(2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]1O
InChIInChI=1S/C7H13N3O4/c1-3-4(9-10-8)5(11)6(12)7(13-2)14-3/h3-7,11-12H,1-2H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyPKXUFEYHGZHRPK-VEIUFWFVSA-N
MW203.20 g/mol
LogP-0.22
Rot. Bonds2

About (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol

(2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol (PubChem CID 3082172) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol
PubChem CID3082172
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name(2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]1O
InChIInChI=1S/C7H13N3O4/c1-3-4(9-10-8)5(11)6(12)7(13-2)14-3/h3-7,11-12H,1-2H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyPKXUFEYHGZHRPK-VEIUFWFVSA-N
XLogP-0.22
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol?
The IUPAC name of (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol (CID 3082172) is (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol is CO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol?
The InChIKey is PKXUFEYHGZHRPK-VEIUFWFVSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-3-4(9-10-8)5(11)6(12)7(13-2)14-3/h3-7,11-12H,1-2H3/t3-,4-,5+,6+,7+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol?
(2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol has a molecular weight of 203.20 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol is sourced from PubChem (CID 3082172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).