(3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol

C15H21NO6 — CID 134852941

IUPAC(3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
SMILESCC1O[C@@H](OCC=NOCc2ccccc2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C15H21NO6/c1-10-12(17)13(18)14(19)15(22-10)20-8-7-16-21-9-11-5-3-2-4-6-11/h2-7,10,12-15,17-19H,8-9H2,1H3/t10?,12-,13?,14?,15-/m1/s1
InChIKeyMJJWNRBOZQMFDM-WDJGLXJESA-N
MW311.33 g/mol
LogP0.03
Rot. Bonds6

About (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol

(3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol (PubChem CID 134852941) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
PubChem CID134852941
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name(3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
SMILESCC1O[C@@H](OCC=NOCc2ccccc2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C15H21NO6/c1-10-12(17)13(18)14(19)15(22-10)20-8-7-16-21-9-11-5-3-2-4-6-11/h2-7,10,12-15,17-19H,8-9H2,1H3/t10?,12-,13?,14?,15-/m1/s1
InChIKeyMJJWNRBOZQMFDM-WDJGLXJESA-N
XLogP0.03
TPSA100.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-2-[(E)-benzylideneamino]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44402037
(4S,6S)-2-(hydroxymethyl)-6-[(E)-3-phenylpropylideneamino]oxyoxane-3,4,5-triol
CID 44402153
(4S,6S)-2-(hydroxymethyl)-6-[(E)-2-phenylethylideneamino]oxyoxane-3,4,5-triol
CID 44402269
4'-O-methyl-beta-D-benzylglucoside
CID 156582424
2-O-beta-D-glucopyranosyl-(1S)-phenylethylene glycol
CID 163075806
Methyl 4-O-benzyl-alpha-L-rhamnopyranoside
CID 1284354
(2R,3R,4R,5R,6S)-2-(Benzyloxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
CID 10083642
2-methoxy-6-methyl-5-(phenylmethoxy)-2H-3,4,5,6-tetrahydropyran-3,4-diol
CID 561077
Benzyl alpha-L-fucopyranoside
CID 11097119
2-O-beta-D-glucosyl-(1S)-phenylethylene glycol
CID 177827893
Benzyl fucopyranoside
CID 69999855
(3aR,5S,6S,6aR)-5-[(1R)-2-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 16758486

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol?
The IUPAC name of (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol (CID 134852941) is (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol?
The canonical SMILES for (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol is CC1O[C@@H](OCC=NOCc2ccccc2)C(O)C(O)[C@@H]1O.
What is the InChIKey of (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol?
The InChIKey is MJJWNRBOZQMFDM-WDJGLXJESA-N. The full InChI is InChI=1S/C15H21NO6/c1-10-12(17)13(18)14(19)15(22-10)20-8-7-16-21-9-11-5-3-2-4-6-11/h2-7,10,12-15,17-19H,8-9H2,1H3/t10?,12-,13?,14?,15-/m1/s1.
What are the key properties of (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol?
(3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol has a molecular weight of 311.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 134852941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).