(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine

C33H35NO4 — CID 171557955

IUPAC(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine
SMILESN[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(COCc2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C33H35NO4/c34-30-31(28-19-11-4-12-20-28)38-29(24-35-21-25-13-5-1-6-14-25)32(36-22-26-15-7-2-8-16-26)33(30)37-23-27-17-9-3-10-18-27/h1-20,29-33H,21-24,34H2/t29?,30-,31+,32+,33-/m1/s1
InChIKeyMWRAMXUPTDDORP-QMTKCSJISA-N
MW509.65 g/mol
LogP5.84
Rot. Bonds11

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

(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine (PubChem CID 171557955) has the molecular formula C33H35NO4 and a molecular weight of 509.65 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine
PubChem CID171557955
Molecular FormulaC33H35NO4
Molecular Weight509.65 g/mol
Exact Mass509.26
IUPAC Name(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine
SMILESN[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(COCc2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C33H35NO4/c34-30-31(28-19-11-4-12-20-28)38-29(24-35-21-25-13-5-1-6-14-25)32(36-22-26-15-7-2-8-16-26)33(30)37-23-27-17-9-3-10-18-27/h1-20,29-33H,21-24,34H2/t29?,30-,31+,32+,33-/m1/s1
InChIKeyMWRAMXUPTDDORP-QMTKCSJISA-N
XLogP5.84
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-amine
CID 10838227
(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-amine
CID 24795389
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
[4-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methanol
CID 23572743
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2R,5R)-2-chloro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 154723148
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine?
The IUPAC name of (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine (CID 171557955) is (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine.
What is the SMILES notation for (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine?
The canonical SMILES for (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine is N[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(COCc2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine?
The InChIKey is MWRAMXUPTDDORP-QMTKCSJISA-N. The full InChI is InChI=1S/C33H35NO4/c34-30-31(28-19-11-4-12-20-28)38-29(24-35-21-25-13-5-1-6-14-25)32(36-22-26-15-7-2-8-16-26)33(30)37-23-27-17-9-3-10-18-27/h1-20,29-33H,21-24,34H2/t29?,30-,31+,32+,33-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine?
(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine has a molecular weight of 509.65 g/mol, XLogP of 5.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine is sourced from PubChem (CID 171557955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).