(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine

C33H35NO4 — CID 71524271

IUPAC(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine
SMILESc1ccc(CNC2OCC(OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C33H35NO4/c1-5-13-26(14-6-1)21-34-33-32(37-24-29-19-11-4-12-20-29)31(36-23-28-17-9-3-10-18-28)30(25-38-33)35-22-27-15-7-2-8-16-27/h1-20,30-34H,21-25H2/t30?,31-,32+,33?/m0/s1
InChIKeyDKPQLKNUXACRDI-OKKMUKOFSA-N
MW509.65 g/mol
LogP5.89
Rot. Bonds12

About (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine

(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine (PubChem CID 71524271) has the molecular formula C33H35NO4 and a molecular weight of 509.65 g/mol. Its IUPAC name is (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine.

Molecular Properties

Compound Name(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine
PubChem CID71524271
Molecular FormulaC33H35NO4
Molecular Weight509.65 g/mol
Exact Mass509.26
IUPAC Name(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine
SMILESc1ccc(CNC2OCC(OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C33H35NO4/c1-5-13-26(14-6-1)21-34-33-32(37-24-29-19-11-4-12-20-29)31(36-23-28-17-9-3-10-18-28)30(25-38-33)35-22-27-15-7-2-8-16-27/h1-20,30-34H,21-25H2/t30?,31-,32+,33?/m0/s1
InChIKeyDKPQLKNUXACRDI-OKKMUKOFSA-N
XLogP5.89
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
(2S,5R)-3,4,5-tris(phenylmethoxy)-2-prop-2-ynoxyoxane
CID 135033062
(1S,4R,5R,6R)-7,7-dichloro-4,5-bis(phenylmethoxy)-2-oxabicyclo[4.1.0]heptane
CID 10595861
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102422537
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950
(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 144531993
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine?
The IUPAC name of (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine (CID 71524271) is (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine.
What is the SMILES notation for (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine?
The canonical SMILES for (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine is c1ccc(CNC2OCC(OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine?
The InChIKey is DKPQLKNUXACRDI-OKKMUKOFSA-N. The full InChI is InChI=1S/C33H35NO4/c1-5-13-26(14-6-1)21-34-33-32(37-24-29-19-11-4-12-20-29)31(36-23-28-17-9-3-10-18-28)30(25-38-33)35-22-27-15-7-2-8-16-27/h1-20,30-34H,21-25H2/t30?,31-,32+,33?/m0/s1.
What are the key properties of (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine?
(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine has a molecular weight of 509.65 g/mol, XLogP of 5.89, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine is sourced from PubChem (CID 71524271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).