[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine

C28H33NO5 — CID 14541410

IUPAC[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine
SMILESCOC1OC(CN)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C28H33NO5/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-28H,17-20,29H2,1H3
InChIKeyIGIHLLRSHTZZPN-UHFFFAOYSA-N
MW463.57 g/mol
LogP4.07
Rot. Bonds11

About [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine

[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine (PubChem CID 14541410) has the molecular formula C28H33NO5 and a molecular weight of 463.57 g/mol. Its IUPAC name is [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine
PubChem CID14541410
Molecular FormulaC28H33NO5
Molecular Weight463.57 g/mol
Exact Mass463.24
IUPAC Name[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine
SMILESCOC1OC(CN)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C28H33NO5/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-28H,17-20,29H2,1H3
InChIKeyIGIHLLRSHTZZPN-UHFFFAOYSA-N
XLogP4.07
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decan-2-ol
CID 238131
5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy-tetrahydro-pyran-2-ylmethoxy)-pentylamine
CID 10325243
(5-Amino-4-azido-3,6-bis-benzyloxy-tetrahydro-pyran-2-yl)-methanol
CID 20979040
(4,4-Dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methanamine
CID 238136
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-3-phenylmethoxyoxan-4-ol
CID 137651356
(2S,3R,4S,5S,6R)-5-amino-2-(aminomethyl)-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-3-phenylmethoxyoxan-4-ol
CID 137654916
(1S,3R,4S,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-amino-3-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-5-methoxycyclohexane-1,3-diamine
CID 145964160
(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-phenylmethoxycyclohexyl]oxy-4-phenylmethoxyoxan-3-ol
CID 44626896
5-[[(2S,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
CID 9980863
(2S,3R,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 68654071
6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
CID 326201
[(2R,3S,4S,5R,6R)-4,5-diamino-3,6-dibenzyloxy-tetrahydropyran-2-yl]methanol
CID 485310

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine?
The IUPAC name of [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine (CID 14541410) is [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine.
What is the SMILES notation for [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine?
The canonical SMILES for [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine is COC1OC(CN)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine?
The InChIKey is IGIHLLRSHTZZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO5/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-28H,17-20,29H2,1H3.
What are the key properties of [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine?
[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine has a molecular weight of 463.57 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanamine is sourced from PubChem (CID 14541410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).