(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane

C48H48O7 — CID 70896291

IUPAC(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane
SMILESCOc1ccccc1C(OC[C@H]1O[C@H](OC)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H48O7/c1-49-42-31-19-18-30-41(42)48(39-26-14-6-15-27-39,40-28-16-7-17-29-40)54-35-43-44(51-32-36-20-8-3-9-21-36)45(52-33-37-22-10-4-11-23-37)46(47(50-2)55-43)53-34-38-24-12-5-13-25-38/h3-31,43-47H,32-35H2,1-2H3/t43-,44-,45+,46+,47+/m1/s1
InChIKeyCTLBYVXNYJACQH-ZXDZVNHNSA-N
MW736.91 g/mol
LogP9.13
Rot. Bonds17

About (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane

(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 70896291) has the molecular formula C48H48O7 and a molecular weight of 736.91 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane
PubChem CID70896291
Molecular FormulaC48H48O7
Molecular Weight736.91 g/mol
Exact Mass736.34
IUPAC Name(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane
SMILESCOc1ccccc1C(OC[C@H]1O[C@H](OC)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H48O7/c1-49-42-31-19-18-30-41(42)48(39-26-14-6-15-27-39,40-28-16-7-17-29-40)54-35-43-44(51-32-36-20-8-3-9-21-36)45(52-33-37-22-10-4-11-23-37)46(47(50-2)55-43)53-34-38-24-12-5-13-25-38/h3-31,43-47H,32-35H2,1-2H3/t43-,44-,45+,46+,47+/m1/s1
InChIKeyCTLBYVXNYJACQH-ZXDZVNHNSA-N
XLogP9.13
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.91
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 15947732
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3R,4R,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]peroxyoxane
CID 100959674
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
(2R,3R,4S,5R,6S)-2-(chloromethoxymethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 54470697

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane (CID 70896291) is (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane is COc1ccccc1C(OC[C@H]1O[C@H](OC)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is CTLBYVXNYJACQH-ZXDZVNHNSA-N. The full InChI is InChI=1S/C48H48O7/c1-49-42-31-19-18-30-41(42)48(39-26-14-6-15-27-39,40-28-16-7-17-29-40)54-35-43-44(51-32-36-20-8-3-9-21-36)45(52-33-37-22-10-4-11-23-37)46(47(50-2)55-43)53-34-38-24-12-5-13-25-38/h3-31,43-47H,32-35H2,1-2H3/t43-,44-,45+,46+,47+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane?
(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 736.91 g/mol, XLogP of 9.13, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 70896291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).