(2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane

C208H240O37 — CID 161004101

About (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane

(2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane (PubChem CID 161004101) has the molecular formula C208H240O37 and a molecular weight of 3332.17 g/mol. Its IUPAC name is (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane.

Molecular Properties

• Compound Name: (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
• PubChem CID: 161004101
• Molecular Formula: C208H240O37
• Molecular Weight: 3332.17 g/mol
• Exact Mass: 3329.69
• IUPAC Name: (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
• SMILES: C.CC1OC(C)[C@@H](OCc2ccccc2)[C@H](O[C@H]2O[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1C.CC1O[C@@H](C)C(O)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CC1O[C@@H](OC2[C@H](C)OC(C)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)C(O)[C@@H](O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)[C@H]1OCc1ccccc1.CC1[C@H](OC2[C@H](C)OC(C)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)OC(C)[C@H](OCc2ccccc2)[C@@H]1O[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C69H78O12.C68H76O13.C49H56O8.C21H26O4.CH4/c1-48-60(61(71-41-53-28-14-6-15-29-53)50(3)78-68(48)81-63-51(4)77-49(2)62(72-42-54-30-16-7-17-31-54)65(63)74-44-56-34-20-9-21-35-56)80-69-67(76-46-58-38-24-11-25-39-58)66(75-45-57-36-22-10-23-37-57)64(73-43-55-32-18-8-19-33-55)59(79-69)47-70-40-52-26-12-5-13-27-52;1-47-60(72-41-52-29-15-6-16-30-52)64(74-43-54-33-19-8-20-34-54)61(49(3)77-47)80-67-58(69)63(59(48(2)78-67)71-40-51-27-13-5-14-28-51)81-68-66(76-45-56-37-23-10-24-38-56)65(75-44-55-35-21-9-22-36-55)62(73-42-53-31-17-7-18-32-53)57(79-68)46-70-39-50-25-11-4-12-26-50;1-35-36(2)55-37(3)45(51-30-39-21-11-5-12-22-39)44(35)57-49-48(54-33-42-27-17-8-18-28-42)47(53-32-41-25-15-7-16-26-41)46(52-31-40-23-13-6-14-24-40)43(56-49)34-50-29-38-19-9-4-10-20-38;1-15-19(22)21(24-14-18-11-7-4-8-12-18)20(16(2)25-15)23-13-17-9-5-3-6-10-17;/h5-39,48-51,59-69H,40-47H2,1-4H3;4-38,47-49,57-69H,39-46H2,1-3H3;4-28,35-37,43-49H,29-34H2,1-3H3;3-12,15-16,19-22H,13-14H2,1-2H3;1H4/t48?,49?,50?,51-,59-,60+,61-,62-,63?,64+,65-,66?,67?,68-,69+;47?,48?,49-,57-,58?,59-,60-,61?,62+,63+,64-,65?,66?,67-,68+;35?,36?,37?,43-,44+,45+,46-,47?,48?,49+;15-,16?,19?,20-,21+;/m0000./s1
• InChIKey: TWGWLBMHVUCGCI-SXNWHJCISA-N
• XLogP: 36.58
• TPSA: 363.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 76
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3332.17
LogP ≤ 5	36.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?

The IUPAC name of (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane (CID 161004101) is (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane.

What is the SMILES notation for (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?

The canonical SMILES for (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane is C.CC1OC(C)[C@@H](OCc2ccccc2)[C@H](O[C@H]2O[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1C.CC1O[C@@H](C)C(O)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CC1O[C@@H](OC2[C@H](C)OC(C)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)C(O)[C@@H](O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)[C@H]1OCc1ccccc1.CC1[C@H](OC2[C@H](C)OC(C)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)OC(C)[C@H](OCc2ccccc2)[C@@H]1O[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?

The InChIKey is TWGWLBMHVUCGCI-SXNWHJCISA-N. The full InChI is InChI=1S/C69H78O12.C68H76O13.C49H56O8.C21H26O4.CH4/c1-48-60(61(71-41-53-28-14-6-15-29-53)50(3)78-68(48)81-63-51(4)77-49(2)62(72-42-54-30-16-7-17-31-54)65(63)74-44-56-34-20-9-21-35-56)80-69-67(76-46-58-38-24-11-25-39-58)66(75-45-57-36-22-10-23-37-57)64(73-43-55-32-18-8-19-33-55)59(79-69)47-70-40-52-26-12-5-13-27-52;1-47-60(72-41-52-29-15-6-16-30-52)64(74-43-54-33-19-8-20-34-54)61(49(3)77-47)80-67-58(69)63(59(48(2)78-67)71-40-51-27-13-5-14-28-51)81-68-66(76-45-56-37-23-10-24-38-56)65(75-44-55-35-21-9-22-36-55)62(73-42-53-31-17-7-18-32-53)57(79-68)46-70-39-50-25-11-4-12-26-50;1-35-36(2)55-37(3)45(51-30-39-21-11-5-12-22-39)44(35)57-49-48(54-33-42-27-17-8-18-28-42)47(53-32-41-25-15-7-16-26-41)46(52-31-40-23-13-6-14-24-40)43(56-49)34-50-29-38-19-9-4-10-20-38;1-15-19(22)21(24-14-18-11-7-4-8-12-18)20(16(2)25-15)23-13-17-9-5-3-6-10-17;/h5-39,48-51,59-69H,40-47H2,1-4H3;4-38,47-49,57-69H,39-46H2,1-3H3;4-28,35-37,43-49H,29-34H2,1-3H3;3-12,15-16,19-22H,13-14H2,1-2H3;1H4/t48?,49?,50?,51-,59-,60+,61-,62-,63?,64+,65-,66?,67?,68-,69+;47?,48?,49-,57-,58?,59-,60-,61?,62+,63+,64-,65?,66?,67-,68+;35?,36?,37?,43-,44+,45+,46-,47?,48?,49+;15-,16?,19?,20-,21+;/m0000./s1.

What are the key properties of (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?

(2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane has a molecular weight of 3332.17 g/mol, XLogP of 36.58, 76 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane is sourced from PubChem (CID 161004101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).