N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine

C9H19NO5 — CID 91296350

IUPACN-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine
SMILESCOC1C(C)OC(NO)C(OC)C1OC
InChIInChI=1S/C9H19NO5/c1-5-6(12-2)7(13-3)8(14-4)9(10-11)15-5/h5-11H,1-4H3
InChIKeyNNLDSJBAAWHXQZ-UHFFFAOYSA-N
MW221.25 g/mol
LogP-0.25
Rot. Bonds4

About N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine

N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine (PubChem CID 91296350) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine
PubChem CID91296350
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC NameN-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine
SMILESCOC1C(C)OC(NO)C(OC)C1OC
InChIInChI=1S/C9H19NO5/c1-5-6(12-2)7(13-3)8(14-4)9(10-11)15-5/h5-11H,1-4H3
InChIKeyNNLDSJBAAWHXQZ-UHFFFAOYSA-N
XLogP-0.25
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
CID 142172396
(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
CID 134895222
(3S,4R,5R,6S)-2-iodo-3,4,5-trimethoxy-6-methyloxane
CID 160900646
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
CID 59441458
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine?
The IUPAC name of N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine (CID 91296350) is N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine.
What is the SMILES notation for N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine?
The canonical SMILES for N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine is COC1C(C)OC(NO)C(OC)C1OC.
What is the InChIKey of N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine?
The InChIKey is NNLDSJBAAWHXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-5-6(12-2)7(13-3)8(14-4)9(10-11)15-5/h5-11H,1-4H3.
What are the key properties of N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine?
N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine has a molecular weight of 221.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine is sourced from PubChem (CID 91296350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).