[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate

C56H58O12 — CID 171123467

IUPAC[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](OC[C@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H58O12/c1-39(57)65-47-33-50(67-49(51(47)66-40(2)58)38-64-56(44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46)60-37-48-52(61-34-41-21-9-3-10-22-41)53(62-35-42-23-11-4-12-24-42)54(55(59)68-48)63-36-43-25-13-5-14-26-43/h3-32,47-55,59H,33-38H2,1-2H3/t47-,48+,49+,50+,51-,52+,53-,54+,55-/m0/s1
InChIKeyCJOQBGBZRXMCBT-RORZSARASA-N
MW923.07 g/mol
LogP8.46
Rot. Bonds20

About [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate

[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate (PubChem CID 171123467) has the molecular formula C56H58O12 and a molecular weight of 923.07 g/mol. Its IUPAC name is [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate
PubChem CID171123467
Molecular FormulaC56H58O12
Molecular Weight923.07 g/mol
Exact Mass922.39
IUPAC Name[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](OC[C@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H58O12/c1-39(57)65-47-33-50(67-49(51(47)66-40(2)58)38-64-56(44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46)60-37-48-52(61-34-41-21-9-3-10-22-41)53(62-35-42-23-11-4-12-24-42)54(55(59)68-48)63-36-43-25-13-5-14-26-43/h3-32,47-55,59H,33-38H2,1-2H3/t47-,48+,49+,50+,51-,52+,53-,54+,55-/m0/s1
InChIKeyCJOQBGBZRXMCBT-RORZSARASA-N
XLogP8.46
TPSA137.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.07
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate with MolForge

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Related Compounds

[2-hydroxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
CID 171122090
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate
CID 171125559
[(3R,6R)-4,5-diacetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 171123435
(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
CID 10897967
[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
CID 102461653
[(2S,3S,4S,5R,6S)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 129034510
[(2R,3R,4R,5S)-3-acetyloxy-6-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 171137897
[(3S,4S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 153310904
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
[(2R,3R,4S,6S)-3-acetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 70364158
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate?
The IUPAC name of [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate (CID 171123467) is [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate is CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](OC[C@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate?
The InChIKey is CJOQBGBZRXMCBT-RORZSARASA-N. The full InChI is InChI=1S/C56H58O12/c1-39(57)65-47-33-50(67-49(51(47)66-40(2)58)38-64-56(44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46)60-37-48-52(61-34-41-21-9-3-10-22-41)53(62-35-42-23-11-4-12-24-42)54(55(59)68-48)63-36-43-25-13-5-14-26-43/h3-32,47-55,59H,33-38H2,1-2H3/t47-,48+,49+,50+,51-,52+,53-,54+,55-/m0/s1.
What are the key properties of [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate?
[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate has a molecular weight of 923.07 g/mol, XLogP of 8.46, 20 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 171123467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).