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

C54H59NO10 — CID 15431219

IUPAC(2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
SMILESN[C@H]1[C@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C54H59NO10/c55-47-50(60-34-42-25-13-4-14-26-42)48(56)45(37-57-31-39-19-7-1-8-20-39)63-53(47)65-52-51(61-35-43-27-15-5-16-28-43)49(59-33-41-23-11-3-12-24-41)46(38-58-32-40-21-9-2-10-22-40)64-54(52)62-36-44-29-17-6-18-30-44/h1-30,45-54,56H,31-38,55H2/t45-,46-,47-,48-,49-,50-,51+,52+,53+,54+/m1/s1
InChIKeySUIBVMAUIJHFCK-PKTHEOBVSA-N
MW882.06 g/mol
LogP7.92
Rot. Bonds22

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

(2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol (PubChem CID 15431219) has the molecular formula C54H59NO10 and a molecular weight of 882.06 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
PubChem CID15431219
Molecular FormulaC54H59NO10
Molecular Weight882.06 g/mol
Exact Mass881.41
IUPAC Name(2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
SMILESN[C@H]1[C@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C54H59NO10/c55-47-50(60-34-42-25-13-4-14-26-42)48(56)45(37-57-31-39-19-7-1-8-20-39)63-53(47)65-52-51(61-35-43-27-15-5-16-28-43)49(59-33-41-23-11-3-12-24-41)46(38-58-32-40-21-9-2-10-22-40)64-54(52)62-36-44-29-17-6-18-30-44/h1-30,45-54,56H,31-38,55H2/t45-,46-,47-,48-,49-,50-,51+,52+,53+,54+/m1/s1
InChIKeySUIBVMAUIJHFCK-PKTHEOBVSA-N
XLogP7.92
TPSA129.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.06
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 174503596
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(3R,4R,5S,6R)-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90939557
(2S,3S,4R,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11263097
(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
(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
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(2S,3R,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11513699
(2S,3S,4S,5R,6R)-3-[(2S,3S,4S,5R,6R)-3-[(2S,3S,4S,5R,6R)-3-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 87498109
(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
(2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine
CID 101090690

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol?
The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol (CID 15431219) is (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol?
The canonical SMILES for (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol is N[C@H]1[C@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol?
The InChIKey is SUIBVMAUIJHFCK-PKTHEOBVSA-N. The full InChI is InChI=1S/C54H59NO10/c55-47-50(60-34-42-25-13-4-14-26-42)48(56)45(37-57-31-39-19-7-1-8-20-39)63-53(47)65-52-51(61-35-43-27-15-5-16-28-43)49(59-33-41-23-11-3-12-24-41)46(38-58-32-40-21-9-2-10-22-40)64-54(52)62-36-44-29-17-6-18-30-44/h1-30,45-54,56H,31-38,55H2/t45-,46-,47-,48-,49-,50-,51+,52+,53+,54+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol?
(2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol has a molecular weight of 882.06 g/mol, XLogP of 7.92, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol is sourced from PubChem (CID 15431219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).