(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

C35H65NO11 — CID 156853330

About (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one (PubChem CID 156853330) has the molecular formula C35H65NO11 and a molecular weight of 675.90 g/mol. Its IUPAC name is (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
• PubChem CID: 156853330
• Molecular Formula: C35H65NO11
• Molecular Weight: 675.90 g/mol
• Exact Mass: 675.46
• IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2CC(C)C(CO)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O
• InChI: InChI=1S/C35H65NO11/c1-11-27-35(10,42)30(39)23(7)36-16-18(2)15-34(9,41)31(47-33-26(38)13-12-20(4)43-33)21(5)29(22(6)32(40)45-27)46-28-14-19(3)25(17-37)24(8)44-28/h18-31,33,36-39,41-42H,11-17H2,1-10H3/t18-,19?,20-,21+,22-,23-,24+,25?,26-,27-,28+,29+,30-,31-,33+,34-,35-/m1/s1
• InChIKey: UZIGOVRSQLHJOM-DHJJOPPCSA-N
• XLogP: 2.50
• TPSA: 176.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	675.90
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one?

The IUPAC name of (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one (CID 156853330) is (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one.

What is the SMILES notation for (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one?

The canonical SMILES for (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2CC(C)C(CO)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O.

What is the InChIKey of (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one?

The InChIKey is UZIGOVRSQLHJOM-DHJJOPPCSA-N. The full InChI is InChI=1S/C35H65NO11/c1-11-27-35(10,42)30(39)23(7)36-16-18(2)15-34(9,41)31(47-33-26(38)13-12-20(4)43-33)21(5)29(22(6)32(40)45-27)46-28-14-19(3)25(17-37)24(8)44-28/h18-31,33,36-39,41-42H,11-17H2,1-10H3/t18-,19?,20-,21+,22-,23-,24+,25?,26-,27-,28+,29+,30-,31-,33+,34-,35-/m1/s1.

What are the key properties of (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one?

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one has a molecular weight of 675.90 g/mol, XLogP of 2.50, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,6S)-5-(hydroxymethyl)-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,6R)-3-hydroxy-6-methyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one is sourced from PubChem (CID 156853330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).