(6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione

C33H55N5O7 — CID 170608491

About (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione

(6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione (PubChem CID 170608491) has the molecular formula C33H55N5O7 and a molecular weight of 633.83 g/mol. Its IUPAC name is (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione.

Molecular Properties

• Compound Name: (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione
• PubChem CID: 170608491
• Molecular Formula: C33H55N5O7
• Molecular Weight: 633.83 g/mol
• Exact Mass: 633.41
• IUPAC Name: (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione
• SMILES: CN[C@H]1CC(C)OC(O[C@@H]2[C@@H](C)C(=O)C(C)(C)C(=O)OCC(C3CN(Cc4cnccn4)C3)N(C)C[C@H](C)C[C@@]2(C)OC)[C@@H]1O
• InChI: InChI=1S/C33H55N5O7/c1-20-13-33(6,42-9)29(45-30-27(39)25(34-7)12-21(2)44-30)22(3)28(40)32(4,5)31(41)43-19-26(37(8)15-20)23-16-38(17-23)18-24-14-35-10-11-36-24/h10-11,14,20-23,25-27,29-30,34,39H,12-13,15-19H2,1-9H3/t20-,21?,22+,25+,26?,27-,29-,30?,33-/m1/s1
• InChIKey: PHAZMHPYTGKGMP-XWHFPTSDSA-N
• XLogP: 1.90
• TPSA: 135.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.83
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione?

The IUPAC name of (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione (CID 170608491) is (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione.

What is the SMILES notation for (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione?

The canonical SMILES for (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione is CN[C@H]1CC(C)OC(O[C@@H]2[C@@H](C)C(=O)C(C)(C)C(=O)OCC(C3CN(Cc4cnccn4)C3)N(C)C[C@H](C)C[C@@]2(C)OC)[C@@H]1O.

What is the InChIKey of (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione?

The InChIKey is PHAZMHPYTGKGMP-XWHFPTSDSA-N. The full InChI is InChI=1S/C33H55N5O7/c1-20-13-33(6,42-9)29(45-30-27(39)25(34-7)12-21(2)44-30)22(3)28(40)32(4,5)31(41)43-19-26(37(8)15-20)23-16-38(17-23)18-24-14-35-10-11-36-24/h10-11,14,20-23,25-27,29-30,34,39H,12-13,15-19H2,1-9H3/t20-,21?,22+,25+,26?,27-,29-,30?,33-/m1/s1.

What are the key properties of (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione?

(6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione has a molecular weight of 633.83 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8R,9R,10R)-9-[(3R,4S)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-3-[1-(pyrazin-2-ylmethyl)azetidin-3-yl]-1-oxa-4-azacyclotridecane-11,13-dione is sourced from PubChem (CID 170608491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).