(2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol

C74H78O14 — CID 91546775

About (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol

(2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol (PubChem CID 91546775) has the molecular formula C74H78O14 and a molecular weight of 1191.42 g/mol. Its IUPAC name is (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol.

Molecular Properties

• Compound Name: (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
• PubChem CID: 91546775
• Molecular Formula: C74H78O14
• Molecular Weight: 1191.42 g/mol
• Exact Mass: 1190.54
• IUPAC Name: (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
• SMILES: O[C@@H]1C(OCc2ccccc2)[C@@H](O[C@H]2C(COCc3ccccc3)O[C@@H](O[C@@H]3C(COCc4ccccc4)OC=C[C@@H]3OCc3ccccc3)C(OCc3ccccc3)[C@@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C74H78O14/c75-66-68(81-47-58-33-17-5-18-34-58)64(52-77-44-55-27-11-2-12-28-55)85-73(70(66)82-48-59-35-19-6-20-36-59)88-69-65(53-78-45-56-29-13-3-14-30-56)86-74(72(84-50-61-39-23-8-24-40-61)71(69)83-49-60-37-21-7-22-38-60)87-67-62(80-46-57-31-15-4-16-32-57)41-42-79-63(67)51-76-43-54-25-9-1-10-26-54/h1-42,62-75H,43-53H2/t62-,63?,64?,65?,66-,67-,68-,69-,70?,71+,72?,73+,74-/m0/s1
• InChIKey: OULCZONZOYGCPW-UPWSXOLZSA-N
• XLogP: 12.06
• TPSA: 140.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 31
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.42
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol?

The IUPAC name of (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol (CID 91546775) is (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol.

What is the SMILES notation for (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol?

The canonical SMILES for (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol is O[C@@H]1C(OCc2ccccc2)[C@@H](O[C@H]2C(COCc3ccccc3)O[C@@H](O[C@@H]3C(COCc4ccccc4)OC=C[C@@H]3OCc3ccccc3)C(OCc3ccccc3)[C@@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol?

The InChIKey is OULCZONZOYGCPW-UPWSXOLZSA-N. The full InChI is InChI=1S/C74H78O14/c75-66-68(81-47-58-33-17-5-18-34-58)64(52-77-44-55-27-11-2-12-28-55)85-73(70(66)82-48-59-35-19-6-20-36-59)88-69-65(53-78-45-56-29-13-3-14-30-56)86-74(72(84-50-61-39-23-8-24-40-61)71(69)83-49-60-37-21-7-22-38-60)87-67-62(80-46-57-31-15-4-16-32-57)41-42-79-63(67)51-76-43-54-25-9-1-10-26-54/h1-42,62-75H,43-53H2/t62-,63?,64?,65?,66-,67-,68-,69-,70?,71+,72?,73+,74-/m0/s1.

What are the key properties of (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol?

(2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol has a molecular weight of 1191.42 g/mol, XLogP of 12.06, 31 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol is sourced from PubChem (CID 91546775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).