11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium

C39H72N2O12V — CID 161231791

About 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium

11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium (PubChem CID 161231791) has the molecular formula C39H72N2O12V and a molecular weight of 811.95 g/mol. Its IUPAC name is 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium.

Molecular Properties

• Compound Name: 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium
• PubChem CID: 161231791
• Molecular Formula: C39H72N2O12V
• Molecular Weight: 811.95 g/mol
• Exact Mass: 811.45
• IUPAC Name: 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium
• SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C3(CO3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC)C(C)(O)CC(C)CNC(C)C(O)C1(C)O.[V]
• InChI: InChI=1S/C39H72N2O12.V/c1-15-28-38(10,45)32(42)25(6)40-19-21(2)17-36(8,44)33(53-35-31(46-13)27(41(11)12)16-22(3)49-35)23(4)30(24(5)34(43)51-28)52-29-18-37(9,47-14)39(20-48-39)26(7)50-29;/h21-33,35,40,42,44-45H,15-20H2,1-14H3
• InChIKey: UYVQBESMQNIYKZ-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 170.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.95
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium?

The IUPAC name of 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium (CID 161231791) is 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium.

What is the SMILES notation for 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium?

The canonical SMILES for 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium is CCC1OC(=O)C(C)C(OC2CC(C)(OC)C3(CO3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC)C(C)(O)CC(C)CNC(C)C(O)C1(C)O.[V].

What is the InChIKey of 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium?

The InChIKey is UYVQBESMQNIYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H72N2O12.V/c1-15-28-38(10,45)32(42)25(6)40-19-21(2)17-36(8,44)33(53-35-31(46-13)27(41(11)12)16-22(3)49-35)23(4)30(24(5)34(43)51-28)52-29-18-37(9,47-14)39(20-48-39)26(7)50-29;/h21-33,35,40,42,44-45H,15-20H2,1-14H3;.

What are the key properties of 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium?

11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium has a molecular weight of 811.95 g/mol, XLogP of 2.62, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium is sourced from PubChem (CID 161231791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).