2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane

C68H70O11 — CID 3665979

IUPAC2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
SMILESc1ccc(COCC2OC(OC3C(OCc4ccccc4)OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C68H70O11/c1-9-25-51(26-10-1)41-69-49-59-62(72-44-54-31-15-4-16-32-54)64(74-46-56-35-19-6-20-36-56)66(67(77-59)76-48-58-39-23-8-24-40-58)79-68-65(75-47-57-37-21-7-22-38-57)63(73-45-55-33-17-5-18-34-55)61(71-43-53-29-13-3-14-30-53)60(78-68)50-70-42-52-27-11-2-12-28-52/h1-40,59-68H,41-50H2
InChIKeyGLDUOSFSWOVRFH-UHFFFAOYSA-N
MW1063.30 g/mol
LogP12.40
Rot. Bonds28

About 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane

2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane (PubChem CID 3665979) has the molecular formula C68H70O11 and a molecular weight of 1063.30 g/mol. Its IUPAC name is 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane.

Molecular Properties

Compound Name2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
PubChem CID3665979
Molecular FormulaC68H70O11
Molecular Weight1063.30 g/mol
Exact Mass1062.49
IUPAC Name2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
SMILESc1ccc(COCC2OC(OC3C(OCc4ccccc4)OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C68H70O11/c1-9-25-51(26-10-1)41-69-49-59-62(72-44-54-31-15-4-16-32-54)64(74-46-56-35-19-6-20-36-56)66(67(77-59)76-48-58-39-23-8-24-40-58)79-68-65(75-47-57-37-21-7-22-38-57)63(73-45-55-33-17-5-18-34-55)61(71-43-53-29-13-3-14-30-53)60(78-68)50-70-42-52-27-11-2-12-28-52/h1-40,59-68H,41-50H2
InChIKeyGLDUOSFSWOVRFH-UHFFFAOYSA-N
XLogP12.40
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.30
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(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
(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,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(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
(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
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(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,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane
CID 11804008
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?
The IUPAC name of 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane (CID 3665979) is 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane.
What is the SMILES notation for 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?
The canonical SMILES for 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane is c1ccc(COCC2OC(OC3C(OCc4ccccc4)OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?
The InChIKey is GLDUOSFSWOVRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H70O11/c1-9-25-51(26-10-1)41-69-49-59-62(72-44-54-31-15-4-16-32-54)64(74-46-56-35-19-6-20-36-56)66(67(77-59)76-48-58-39-23-8-24-40-58)79-68-65(75-47-57-37-21-7-22-38-57)63(73-45-55-33-17-5-18-34-55)61(71-43-53-29-13-3-14-30-53)60(78-68)50-70-42-52-27-11-2-12-28-52/h1-40,59-68H,41-50H2.
What are the key properties of 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane has a molecular weight of 1063.30 g/mol, XLogP of 12.40, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane is sourced from PubChem (CID 3665979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).