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

C15H21NO7 — CID 134852942

IUPAC(3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
SMILESOCC1O[C@@H](OCC=NOCc2ccccc2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C15H21NO7/c17-8-11-12(18)13(19)14(20)15(23-11)21-7-6-16-22-9-10-4-2-1-3-5-10/h1-6,11-15,17-20H,7-9H2/t11?,12-,13?,14?,15-/m1/s1
InChIKeyAUOJCUFXIZIKSM-POTWKZLCSA-N
MW327.33 g/mol
LogP-0.99
Rot. Bonds7

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

(3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol (PubChem CID 134852942) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
PubChem CID134852942
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name(3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
SMILESOCC1O[C@@H](OCC=NOCc2ccccc2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C15H21NO7/c17-8-11-12(18)13(19)14(20)15(23-11)21-7-6-16-22-9-10-4-2-1-3-5-10/h1-6,11-15,17-20H,7-9H2/t11?,12-,13?,14?,15-/m1/s1
InChIKeyAUOJCUFXIZIKSM-POTWKZLCSA-N
XLogP-0.99
TPSA120.97 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

Benzyl beta-d-glucopyranoside
CID 188977
beta-D-Galactopyranoside, phenylmethyl
CID 11032917
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 4984739
Benzyl Alpha-D-Mannopyranoside
CID 10956572
2,4-O-Benzylidenehexitol
CID 247001
Benzyl glucopyranoside
CID 11076492
Benzyl-beta-d-glucopyranoside
CID 13254166
(2R,3R,4R,5S,6R)-2-(Benzyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 53842761
(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
(4S,6S)-2-(hydroxymethyl)-6-[(E)-(2-hydroxyphenyl)methylideneamino]oxyoxane-3,4,5-triol
CID 135964403

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol?
The IUPAC name of (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol (CID 134852942) is (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol?
The canonical SMILES for (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol is OCC1O[C@@H](OCC=NOCc2ccccc2)C(O)C(O)[C@@H]1O.
What is the InChIKey of (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol?
The InChIKey is AUOJCUFXIZIKSM-POTWKZLCSA-N. The full InChI is InChI=1S/C15H21NO7/c17-8-11-12(18)13(19)14(20)15(23-11)21-7-6-16-22-9-10-4-2-1-3-5-10/h1-6,11-15,17-20H,7-9H2/t11?,12-,13?,14?,15-/m1/s1.
What are the key properties of (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol?
(3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol has a molecular weight of 327.33 g/mol, XLogP of -0.99, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 134852942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).