(2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

C75H96O16Si — CID 89368768

About (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

(2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 89368768) has the molecular formula C75H96O16Si and a molecular weight of 1281.66 g/mol. Its IUPAC name is (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
• PubChem CID: 89368768
• Molecular Formula: C75H96O16Si
• Molecular Weight: 1281.66 g/mol
• Exact Mass: 1280.65
• IUPAC Name: (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
• SMILES: CC1O[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(O[C@@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](C)C(O[C@@H]2OC[C@]3(COCc4ccccc4)O[C@@H](c4ccccc4)OC23)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C75H96O16Si/c1-49(2)92(50(3)4,51(5)6)91-70-53(8)64(87-72-62(76)67(80-44-58-34-22-13-23-35-58)66(79-43-57-32-20-12-21-33-57)61(85-72)46-77-41-55-28-16-10-17-29-55)65(54(9)84-70)88-73-68(81-45-59-36-24-14-25-37-59)63(52(7)40-82-73)86-74-69-75(48-83-74,47-78-42-56-30-18-11-19-31-56)90-71(89-69)60-38-26-15-27-39-60/h10-39,49-54,61-74,76H,40-48H2,1-9H3/t52-,53+,54?,61?,62-,63?,64?,65+,66-,67?,68-,69?,70+,71+,72+,73+,74+,75+/m1/s1
• InChIKey: DMDGWLUDBVCIDF-XUAJQPMPSA-N
• XLogP: 13.19
• TPSA: 158.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1281.66
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?

The IUPAC name of (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (CID 89368768) is (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.

What is the SMILES notation for (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?

The canonical SMILES for (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is CC1O[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(O[C@@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](C)C(O[C@@H]2OC[C@]3(COCc4ccccc4)O[C@@H](c4ccccc4)OC23)[C@H]1OCc1ccccc1.

What is the InChIKey of (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?

The InChIKey is DMDGWLUDBVCIDF-XUAJQPMPSA-N. The full InChI is InChI=1S/C75H96O16Si/c1-49(2)92(50(3)4,51(5)6)91-70-53(8)64(87-72-62(76)67(80-44-58-34-22-13-23-35-58)66(79-43-57-32-20-12-21-33-57)61(85-72)46-77-41-55-28-16-10-17-29-55)65(54(9)84-70)88-73-68(81-45-59-36-24-14-25-37-59)63(52(7)40-82-73)86-74-69-75(48-83-74,47-78-42-56-30-18-11-19-31-56)90-71(89-69)60-38-26-15-27-39-60/h10-39,49-54,61-74,76H,40-48H2,1-9H3/t52-,53+,54?,61?,62-,63?,64?,65+,66-,67?,68-,69?,70+,71+,72+,73+,74+,75+/m1/s1.

What are the key properties of (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?

(2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 1281.66 g/mol, XLogP of 13.19, 29 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,5R)-2-[(3S,5S,6S)-3-[(2S,3R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 89368768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).