(2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine

C21H27NO4 — CID 71313766

IUPAC(2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine
SMILESCO[C@H]1C(OCc2ccccc2)O[C@H](C)[C@@H](N)[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H27NO4/c1-15-18(22)19(24-13-16-9-5-3-6-10-16)20(23-2)21(26-15)25-14-17-11-7-4-8-12-17/h3-12,15,18-21H,13-14,22H2,1-2H3/t15-,18-,19+,20-,21?/m1/s1
InChIKeyQFMDGEXHHDCMBN-IJFYFLOXSA-N
MW357.45 g/mol
LogP2.88
Rot. Bonds7

About (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine

(2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine (PubChem CID 71313766) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine
PubChem CID71313766
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine
SMILESCO[C@H]1C(OCc2ccccc2)O[C@H](C)[C@@H](N)[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H27NO4/c1-15-18(22)19(24-13-16-9-5-3-6-10-16)20(23-2)21(26-15)25-14-17-11-7-4-8-12-17/h3-12,15,18-21H,13-14,22H2,1-2H3/t15-,18-,19+,20-,21?/m1/s1
InChIKeyQFMDGEXHHDCMBN-IJFYFLOXSA-N
XLogP2.88
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,6S)-5-methoxy-2-methyl-6-[(3S,6S)-2-methyl-6-methylsulfanyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-4-phenylmethoxyoxan-3-amine
CID 134831113
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2S,3R,4R,5S,6S)-3,4-dimethoxy-2-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-5-phenylmethoxy-2-[(2S,3S,4R,5R,6R)-4,5,6-trimethoxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-6-methyl-5-phenylmethoxyoxane
CID 10259312
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
4-amino-2-methyl-5-phenylmethoxyoxolane-3-carboxylic acid
CID 14161425
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(2R,3R,4R,5S,6S)-5-azido-2,3-dimethoxy-6-methyl-4-phenylmethoxyoxane
CID 101086007
(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine?
The IUPAC name of (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine (CID 71313766) is (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine.
What is the SMILES notation for (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine?
The canonical SMILES for (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine is CO[C@H]1C(OCc2ccccc2)O[C@H](C)[C@@H](N)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine?
The InChIKey is QFMDGEXHHDCMBN-IJFYFLOXSA-N. The full InChI is InChI=1S/C21H27NO4/c1-15-18(22)19(24-13-16-9-5-3-6-10-16)20(23-2)21(26-15)25-14-17-11-7-4-8-12-17/h3-12,15,18-21H,13-14,22H2,1-2H3/t15-,18-,19+,20-,21?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine?
(2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine has a molecular weight of 357.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine is sourced from PubChem (CID 71313766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).