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

C34H45NO6 — CID 67700896

IUPAC6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine
SMILESCOC(CCCCCN)[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H45NO6/c1-36-29(21-13-6-14-22-35)30-31(38-23-26-15-7-3-8-16-26)32(39-24-27-17-9-4-10-18-27)33(34(37-2)41-30)40-25-28-19-11-5-12-20-28/h3-5,7-12,15-20,29-34H,6,13-14,21-25,35H2,1-2H3/t29?,30-,31-,32+,33-,34+/m1/s1
InChIKeyZFTYKFLVAFHMAO-FHRXWVBDSA-N
MW563.74 g/mol
LogP5.65
Rot. Bonds17

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

6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine (PubChem CID 67700896) has the molecular formula C34H45NO6 and a molecular weight of 563.74 g/mol. Its IUPAC name is 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine.

Molecular Properties

Compound Name6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine
PubChem CID67700896
Molecular FormulaC34H45NO6
Molecular Weight563.74 g/mol
Exact Mass563.32
IUPAC Name6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine
SMILESCOC(CCCCCN)[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H45NO6/c1-36-29(21-13-6-14-22-35)30-31(38-23-26-15-7-3-8-16-26)32(39-24-27-17-9-4-10-18-27)33(34(37-2)41-30)40-25-28-19-11-5-12-20-28/h3-5,7-12,15-20,29-34H,6,13-14,21-25,35H2,1-2H3/t29?,30-,31-,32+,33-,34+/m1/s1
InChIKeyZFTYKFLVAFHMAO-FHRXWVBDSA-N
XLogP5.65
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 55.65
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 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine?
The IUPAC name of 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine (CID 67700896) is 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine.
What is the SMILES notation for 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine?
The canonical SMILES for 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine is COC(CCCCCN)[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine?
The InChIKey is ZFTYKFLVAFHMAO-FHRXWVBDSA-N. The full InChI is InChI=1S/C34H45NO6/c1-36-29(21-13-6-14-22-35)30-31(38-23-26-15-7-3-8-16-26)32(39-24-27-17-9-4-10-18-27)33(34(37-2)41-30)40-25-28-19-11-5-12-20-28/h3-5,7-12,15-20,29-34H,6,13-14,21-25,35H2,1-2H3/t29?,30-,31-,32+,33-,34+/m1/s1.
What are the key properties of 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine?
6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine has a molecular weight of 563.74 g/mol, XLogP of 5.65, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]hexan-1-amine is sourced from PubChem (CID 67700896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).