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

C21H27NO3 — CID 122579649

IUPAC(2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol
SMILESCO[C@@H]1O[C@H](C)CC(N(Cc2ccccc2)Cc2ccccc2)C1O
InChIInChI=1S/C21H27NO3/c1-16-13-19(20(23)21(24-2)25-16)22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19-21,23H,13-15H2,1-2H3/t16-,19?,20?,21-/m1/s1
InChIKeyQNNPMXMPPLGNOP-XZSMBWTPSA-N
MW341.45 g/mol
LogP3.20
Rot. Bonds6

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

(2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol (PubChem CID 122579649) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol
PubChem CID122579649
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol
SMILESCO[C@@H]1O[C@H](C)CC(N(Cc2ccccc2)Cc2ccccc2)C1O
InChIInChI=1S/C21H27NO3/c1-16-13-19(20(23)21(24-2)25-16)22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19-21,23H,13-15H2,1-2H3/t16-,19?,20?,21-/m1/s1
InChIKeyQNNPMXMPPLGNOP-XZSMBWTPSA-N
XLogP3.20
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 155765665
N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11697647
N-benzyl-4-O-(beta-galactopyranosyl)glucamine-N-carbodithioate
CID 3035499
(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol
CID 72836876
N-(6-ethoxy-3-hydroxy-2-(trifluoromethyl)-tetrahydro-2H-pyran-4-yl)-2,2,2-trifluoro-N-(1-phenylethyl)acetamide
CID 139190435
(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxyoxazinan-5-ol
CID 11221002
(1R,2R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(dibenzylamino)propane-1,3-diol
CID 15663035
N-Benzyllactosamine
CID 129653504
(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol
CID 11559036
(2R,3R,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol
CID 11609666
N-Benzhydryl-1-deoxynojirimycin
CID 11099542
(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol
CID 7203907

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol?
The IUPAC name of (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol (CID 122579649) is (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol.
What is the SMILES notation for (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol?
The canonical SMILES for (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol is CO[C@@H]1O[C@H](C)CC(N(Cc2ccccc2)Cc2ccccc2)C1O.
What is the InChIKey of (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol?
The InChIKey is QNNPMXMPPLGNOP-XZSMBWTPSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16-13-19(20(23)21(24-2)25-16)22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19-21,23H,13-15H2,1-2H3/t16-,19?,20?,21-/m1/s1.
What are the key properties of (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol?
(2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol has a molecular weight of 341.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(dibenzylamino)-2-methoxy-6-methyloxan-3-ol is sourced from PubChem (CID 122579649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).