5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine

C33H43NO6 — CID 10325243

IUPAC5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
SMILESCO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
InChIKeyAFZZYNSWDWCNIN-IZDBAANZSA-N
MW549.71 g/mol
LogP5.26
Rot. Bonds17

About 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine

5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine (PubChem CID 10325243) has the molecular formula C33H43NO6 and a molecular weight of 549.71 g/mol. Its IUPAC name is 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
PubChem CID10325243
Molecular FormulaC33H43NO6
Molecular Weight549.71 g/mol
Exact Mass549.31
IUPAC Name5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
SMILESCO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
InChIKeyAFZZYNSWDWCNIN-IZDBAANZSA-N
XLogP5.26
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.71
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine?
The IUPAC name of 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine (CID 10325243) is 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine.
What is the SMILES notation for 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine?
The canonical SMILES for 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine is CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine?
The InChIKey is AFZZYNSWDWCNIN-IZDBAANZSA-N. The full InChI is InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1.
What are the key properties of 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine?
5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine has a molecular weight of 549.71 g/mol, XLogP of 5.26, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine is sourced from PubChem (CID 10325243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).