(3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol

C8H15NO4 — CID 90089730

IUPAC(3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol
SMILESCO/N=C1\C[C@@H](C)OC(OC)[C@@H]1O
InChIInChI=1S/C8H15NO4/c1-5-4-6(9-12-3)7(10)8(11-2)13-5/h5,7-8,10H,4H2,1-3H3/b9-6+/t5-,7-,8?/m1/s1
InChIKeyDRXHSHPNDYDFHL-FGVNQJLSSA-N
MW189.21 g/mol
LogP0.13
Rot. Bonds2

About (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol

(3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol (PubChem CID 90089730) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol.

Molecular Properties

Compound Name(3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol
PubChem CID90089730
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol
SMILESCO/N=C1\C[C@@H](C)OC(OC)[C@@H]1O
InChIInChI=1S/C8H15NO4/c1-5-4-6(9-12-3)7(10)8(11-2)13-5/h5,7-8,10H,4H2,1-3H3/b9-6+/t5-,7-,8?/m1/s1
InChIKeyDRXHSHPNDYDFHL-FGVNQJLSSA-N
XLogP0.13
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol
CID 130927435
(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol
CID 14483110
(4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-one
CID 121475911
(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
CID 10866852
(E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine
CID 142521463
4-ethyl-2-methoxy-6-methyloxan-3-ol
CID 123374127
(2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol
CID 11054569
2-methoxy-6-methyl-3-propan-2-yloxane
CID 118067032
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(2R,3R)-2,3-dimethoxy-6-methyloxane
CID 143625377
(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10241281
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267

Frequently Asked Questions

What is the IUPAC name of (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol?
The IUPAC name of (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol (CID 90089730) is (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol.
What is the SMILES notation for (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol?
The canonical SMILES for (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol is CO/N=C1\C[C@@H](C)OC(OC)[C@@H]1O.
What is the InChIKey of (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol?
The InChIKey is DRXHSHPNDYDFHL-FGVNQJLSSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5-4-6(9-12-3)7(10)8(11-2)13-5/h5,7-8,10H,4H2,1-3H3/b9-6+/t5-,7-,8?/m1/s1.
What are the key properties of (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol?
(3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol has a molecular weight of 189.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol is sourced from PubChem (CID 90089730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).