[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate

C9H14N6O4 — CID 23249240

IUPAC[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate
SMILESCO[C@@H]1O[C@@H](C)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C9H14N6O4/c1-4-6(12-14-10)8(19-5(2)16)7(13-15-11)9(17-3)18-4/h4,6-9H,1-3H3/t4-,6+,7+,8-,9+/m0/s1
InChIKeyRLYHZAXXSZTHHI-UQOMZCPUSA-N
MW270.25 g/mol
LogP1.67
Rot. Bonds4

About [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate

[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate (PubChem CID 23249240) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate
PubChem CID23249240
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Name[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate
SMILESCO[C@@H]1O[C@@H](C)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C9H14N6O4/c1-4-6(12-14-10)8(19-5(2)16)7(13-15-11)9(17-3)18-4/h4,6-9H,1-3H3/t4-,6+,7+,8-,9+/m0/s1
InChIKeyRLYHZAXXSZTHHI-UQOMZCPUSA-N
XLogP1.67
TPSA142.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3S,4S,5R,6S)-2-acetyloxy-3,5-diazido-6-methyloxan-4-yl] acetate
CID 23249254
[(4S,5S)-2-acetyloxy-5-azido-4,6-dimethyloxan-3-yl] acetate
CID 118933629
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794
[(2R,3S,4S,5R,6R)-3,5-diazido-2-methyl-6-(2,2,2-trichloroethanimidoyl)oxyoxan-4-yl] acetate
CID 71661266
[(2S,3R,4S,5S,6R)-4-acetyloxy-5-azido-6-bromo-2-methyloxan-3-yl] acetate
CID 139611925
(2-azido-4,5,6-trimethyloxan-3-yl) acetate
CID 121403642
[(2S,4R,5R)-5-acetyloxy-4-azido-6-methyloxan-2-yl] acetate
CID 71267608
[(2S,3R,4S,5S,6S)-4-acetyloxy-5-azido-2-methyl-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] acetate
CID 101241637
[(3S,5S,6R)-5-amino-4-azido-2-methyl-6-propan-2-yloxyoxan-3-yl] acetate
CID 45357382
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 11039487
[(2R,4S,5S)-5-azido-2-[(2R,4S,5S)-5-azido-2-ethylsulfanyl-4,6-dimethyloxan-3-yl]oxy-4,6-dimethyloxan-3-yl] acetate
CID 118933636
[(3S,6R)-4,5-diacetyloxy-6-azido-2-methyloxan-3-yl] acetate
CID 133118759

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate (CID 23249240) is [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate is CO[C@@H]1O[C@@H](C)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].
What is the InChIKey of [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate?
The InChIKey is RLYHZAXXSZTHHI-UQOMZCPUSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-4-6(12-14-10)8(19-5(2)16)7(13-15-11)9(17-3)18-4/h4,6-9H,1-3H3/t4-,6+,7+,8-,9+/m0/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate?
[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate has a molecular weight of 270.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate is sourced from PubChem (CID 23249240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).