(2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine

C24H39NO5 — CID 91309806

IUPAC(2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine
SMILESCO[C@]1(C)CC(O[C@H]2[C@H](C)O[C@H](C)C[C@@H]2N(C)C)O[C@@H](C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H39NO5/c1-16-13-20(25(5)6)22(17(2)28-16)30-21-14-24(4,26-7)23(18(3)29-21)27-15-19-11-9-8-10-12-19/h8-12,16-18,20-23H,13-15H2,1-7H3/t16-,17+,18+,20+,21?,22+,23+,24-/m1/s1
InChIKeyZMFRHLOQXYDEAY-NZQBIEKVSA-N
MW421.58 g/mol
LogP3.62
Rot. Bonds7

About (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine

(2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine (PubChem CID 91309806) has the molecular formula C24H39NO5 and a molecular weight of 421.58 g/mol. Its IUPAC name is (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine.

Molecular Properties

Compound Name(2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine
PubChem CID91309806
Molecular FormulaC24H39NO5
Molecular Weight421.58 g/mol
Exact Mass421.28
IUPAC Name(2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine
SMILESCO[C@]1(C)CC(O[C@H]2[C@H](C)O[C@H](C)C[C@@H]2N(C)C)O[C@@H](C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H39NO5/c1-16-13-20(25(5)6)22(17(2)28-16)30-21-14-24(4,26-7)23(18(3)29-21)27-15-19-11-9-8-10-12-19/h8-12,16-18,20-23H,13-15H2,1-7H3/t16-,17+,18+,20+,21?,22+,23+,24-/m1/s1
InChIKeyZMFRHLOQXYDEAY-NZQBIEKVSA-N
XLogP3.62
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine with MolForge

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Related Compounds

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6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
CID 326201
(2R,4aR,6S,7S,8S,8aS)-8-azido-7-fluoro-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 21586038
(2S,3S,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 134934457
6-Methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-amine
CID 248538
(2S,3R,4R)-6-[(2R,3S,5R,6S)-2-(azidomethyl)-6-methyl-5-phenylmethoxyoxan-3-yl]oxy-3-fluoro-4-methoxy-2,4-dimethyloxane
CID 60076895
tert-butyl (2R,3R,4R,5R)-2-ethenyl-5-(methoxymethoxy)-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
CID 11352172
3-[(1R,15S,16R,18R,21R,23S)-23-methoxy-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosan-8-yl]propan-1-ol
CID 11477507
(1R,2R,6S,9R,12S)-3-methyl-12-phenyl-5,8,11,13-tetraoxa-3-azatricyclo[7.4.0.02,6]tridecan-4-one
CID 16202483
6-Methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 72757178
(1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane
CID 101098856
(1R,15S,16R,18R,21R,23S)-23-methoxy-8-(3-methoxypropyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane
CID 101254092

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine?
The IUPAC name of (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine (CID 91309806) is (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine.
What is the SMILES notation for (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine?
The canonical SMILES for (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine is CO[C@]1(C)CC(O[C@H]2[C@H](C)O[C@H](C)C[C@@H]2N(C)C)O[C@@H](C)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine?
The InChIKey is ZMFRHLOQXYDEAY-NZQBIEKVSA-N. The full InChI is InChI=1S/C24H39NO5/c1-16-13-20(25(5)6)22(17(2)28-16)30-21-14-24(4,26-7)23(18(3)29-21)27-15-19-11-9-8-10-12-19/h8-12,16-18,20-23H,13-15H2,1-7H3/t16-,17+,18+,20+,21?,22+,23+,24-/m1/s1.
What are the key properties of (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine?
(2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine has a molecular weight of 421.58 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6R)-3-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,2,6-tetramethyloxan-4-amine is sourced from PubChem (CID 91309806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).