(2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

C23H42O12 — CID 71249209

About (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 71249209) has the molecular formula C23H42O12 and a molecular weight of 510.58 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• PubChem CID: 71249209
• Molecular Formula: C23H42O12
• Molecular Weight: 510.58 g/mol
• Exact Mass: 510.27
• IUPAC Name: (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• SMILES: CC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3C(C)OC(C(C)C)CC3OC)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C23H42O12/c1-6-11-15(24)17(26)19(28)22(33-11)31-8-14-16(25)18(27)20(29)23(34-14)35-21-10(4)32-12(9(2)3)7-13(21)30-5/h9-29H,6-8H2,1-5H3/t10?,11-,12?,13?,14-,15-,16-,17+,18+,19-,20-,21?,22-,23+/m1/s1
• InChIKey: RMKSMNJSSJXVBK-QJEJGHOCSA-N
• XLogP: -1.74
• TPSA: 176.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	510.58
LogP ≤ 5	-1.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?

The IUPAC name of (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol (CID 71249209) is (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol is CC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3C(C)OC(C(C)C)CC3OC)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?

The InChIKey is RMKSMNJSSJXVBK-QJEJGHOCSA-N. The full InChI is InChI=1S/C23H42O12/c1-6-11-15(24)17(26)19(28)22(33-11)31-8-14-16(25)18(27)20(29)23(34-14)35-21-10(4)32-12(9(2)3)7-13(21)30-5/h9-29H,6-8H2,1-5H3/t10?,11-,12?,13?,14-,15-,16-,17+,18+,19-,20-,21?,22-,23+/m1/s1.

What are the key properties of (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?

(2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 510.58 g/mol, XLogP of -1.74, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6R)-2-ethyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxy-2-methyl-6-propan-2-yloxan-3-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 71249209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).