[(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol

C7H14NO5- — CID 59920826

IUPAC[(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol
SMILESCNC1COC(CO)[C@H](OO[O-])C1
InChIInChI=1S/C7H15NO5/c1-8-5-2-6(12-13-10)7(3-9)11-4-5/h5-10H,2-4H2,1H3/p-1/t5?,6-,7?/m1/s1
InChIKeyCWVXMJIOSQPCRA-YURFNIAASA-M
MW192.19 g/mol
LogP-2.05
Rot. Bonds4

About [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol

[(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol (PubChem CID 59920826) has the molecular formula C7H14NO5- and a molecular weight of 192.19 g/mol. Its IUPAC name is [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol
PubChem CID59920826
Molecular FormulaC7H14NO5-
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name[(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol
SMILESCNC1COC(CO)[C@H](OO[O-])C1
InChIInChI=1S/C7H15NO5/c1-8-5-2-6(12-13-10)7(3-9)11-4-5/h5-10H,2-4H2,1H3/p-1/t5?,6-,7?/m1/s1
InChIKeyCWVXMJIOSQPCRA-YURFNIAASA-M
XLogP-2.05
TPSA83.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol?
The IUPAC name of [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol (CID 59920826) is [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol.
What is the SMILES notation for [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol?
The canonical SMILES for [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol is CNC1COC(CO)[C@H](OO[O-])C1.
What is the InChIKey of [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol?
The InChIKey is CWVXMJIOSQPCRA-YURFNIAASA-M. The full InChI is InChI=1S/C7H15NO5/c1-8-5-2-6(12-13-10)7(3-9)11-4-5/h5-10H,2-4H2,1H3/p-1/t5?,6-,7?/m1/s1.
What are the key properties of [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol?
[(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol has a molecular weight of 192.19 g/mol, XLogP of -2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-(methylamino)-3-oxidoperoxyoxan-2-yl]methanol is sourced from PubChem (CID 59920826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).