(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol

C55H100O27 — CID 88937299

About (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol

(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol (PubChem CID 88937299) has the molecular formula C55H100O27 and a molecular weight of 1193.38 g/mol. Its IUPAC name is (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol.

Molecular Properties

• Compound Name: (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
• PubChem CID: 88937299
• Molecular Formula: C55H100O27
• Molecular Weight: 1193.38 g/mol
• Exact Mass: 1192.65
• IUPAC Name: (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
• SMILES: COCC1O[C@@H](O[C@@H]2C(COC)O[C@H](O[C@@H]3C(COC)O[C@@H](O[C@@H]4C(COC)O[C@H](O[C@@H]5C(COC)O[C@@H](O[C@@H]6C(COC)O[C@@H](C)C(C)[C@H]6OC)C(OC)[C@H]5OC)C(C)[C@H]4OC)C(OC)[C@H]3OC)C(C)[C@H]2OC)C(OC)C(OC)[C@@H]1O
• InChI: InChI=1S/C55H100O27/c1-26-29(4)72-31(21-58-6)40(37(26)63-11)80-54-49(70-18)46(67-15)43(34(76-54)24-61-9)78-52-28(3)39(65-13)42(33(75-52)23-60-8)82-55-50(71-19)47(68-16)44(35(77-55)25-62-10)79-51-27(2)38(64-12)41(32(74-51)22-59-7)81-53-48(69-17)45(66-14)36(56)30(73-53)20-57-5/h26-56H,20-25H2,1-19H3/t26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,36+,37+,38+,39+,40+,41+,42+,43+,44+,45?,46-,47-,48?,49?,50?,51+,52+,53-,54-,55-/m0/s1
• InChIKey: MDJKQKHTFSLQHT-SKOAJPBNSA-N
• XLogP: 0.61
• TPSA: 260.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1193.38
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?

The IUPAC name of (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol (CID 88937299) is (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol.

What is the SMILES notation for (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?

The canonical SMILES for (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol is COCC1O[C@@H](O[C@@H]2C(COC)O[C@H](O[C@@H]3C(COC)O[C@@H](O[C@@H]4C(COC)O[C@H](O[C@@H]5C(COC)O[C@@H](O[C@@H]6C(COC)O[C@@H](C)C(C)[C@H]6OC)C(OC)[C@H]5OC)C(C)[C@H]4OC)C(OC)[C@H]3OC)C(C)[C@H]2OC)C(OC)C(OC)[C@@H]1O.

What is the InChIKey of (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?

The InChIKey is MDJKQKHTFSLQHT-SKOAJPBNSA-N. The full InChI is InChI=1S/C55H100O27/c1-26-29(4)72-31(21-58-6)40(37(26)63-11)80-54-49(70-18)46(67-15)43(34(76-54)24-61-9)78-52-28(3)39(65-13)42(33(75-52)23-60-8)82-55-50(71-19)47(68-16)44(35(77-55)25-62-10)79-51-27(2)38(64-12)41(32(74-51)22-59-7)81-53-48(69-17)45(66-14)36(56)30(73-53)20-57-5/h26-56H,20-25H2,1-19H3/t26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,36+,37+,38+,39+,40+,41+,42+,43+,44+,45?,46-,47-,48?,49?,50?,51+,52+,53-,54-,55-/m0/s1.

What are the key properties of (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?

(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol has a molecular weight of 1193.38 g/mol, XLogP of 0.61, 31 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol is sourced from PubChem (CID 88937299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).