(2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine

C46H51NO8 — CID 11764105

IUPAC(2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine
SMILESN[C@@H]1OCC[C@@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C46H51NO8/c47-45-42(39(26-27-49-45)50-29-35-18-8-2-9-19-35)55-46-44(53-32-38-24-14-5-15-25-38)43(52-31-37-22-12-4-13-23-37)41(51-30-36-20-10-3-11-21-36)40(54-46)33-48-28-34-16-6-1-7-17-34/h1-25,39-46H,26-33,47H2/t39-,40-,41+,42+,43+,44-,45-,46+/m1/s1
InChIKeyOLRDHXQWXLIBMH-CYDXYGTRSA-N
MW745.91 g/mol
LogP7.36
Rot. Bonds18

About (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine

(2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine (PubChem CID 11764105) has the molecular formula C46H51NO8 and a molecular weight of 745.91 g/mol. Its IUPAC name is (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine.

Molecular Properties

Compound Name(2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine
PubChem CID11764105
Molecular FormulaC46H51NO8
Molecular Weight745.91 g/mol
Exact Mass745.36
IUPAC Name(2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine
SMILESN[C@@H]1OCC[C@@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C46H51NO8/c47-45-42(39(26-27-49-45)50-29-35-18-8-2-9-19-35)55-46-44(53-32-38-24-14-5-15-25-38)43(52-31-37-22-12-4-13-23-37)41(51-30-36-20-10-3-11-21-36)40(54-46)33-48-28-34-16-6-1-7-17-34/h1-25,39-46H,26-33,47H2/t39-,40-,41+,42+,43+,44-,45-,46+/m1/s1
InChIKeyOLRDHXQWXLIBMH-CYDXYGTRSA-N
XLogP7.36
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine with MolForge

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Related Compounds

(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-amine
CID 24795389
(2S,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10438892
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one
CID 10724297

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine?
The IUPAC name of (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine (CID 11764105) is (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine.
What is the SMILES notation for (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine?
The canonical SMILES for (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine is N[C@@H]1OCC[C@@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine?
The InChIKey is OLRDHXQWXLIBMH-CYDXYGTRSA-N. The full InChI is InChI=1S/C46H51NO8/c47-45-42(39(26-27-49-45)50-29-35-18-8-2-9-19-35)55-46-44(53-32-38-24-14-5-15-25-38)43(52-31-37-22-12-4-13-23-37)41(51-30-36-20-10-3-11-21-36)40(54-46)33-48-28-34-16-6-1-7-17-34/h1-25,39-46H,26-33,47H2/t39-,40-,41+,42+,43+,44-,45-,46+/m1/s1.
What are the key properties of (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine?
(2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine has a molecular weight of 745.91 g/mol, XLogP of 7.36, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine is sourced from PubChem (CID 11764105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).