[(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium

C41H75NO8V — CID 58665229

About [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium

[(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium (PubChem CID 58665229) has the molecular formula C41H75NO8V and a molecular weight of 760.99 g/mol. Its IUPAC name is [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium.

Molecular Properties

• Compound Name: [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium
• PubChem CID: 58665229
• Molecular Formula: C41H75NO8V
• Molecular Weight: 760.99 g/mol
• Exact Mass: 760.49
• IUPAC Name: [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](C)[C@H](C)O2)[C@H](C)[C@@H](C[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2C)[C@@](C)(O)C[C@@H](C)C(=[V])[C@H](C)[C@@H](O)C1(C)C
• InChI: InChI=1S/C41H75NO8.V/c1-17-34-39(10,11)37(43)24(3)18-23(2)21-40(12,45)31(20-33-27(6)32(42(14)15)19-25(4)47-33)26(5)36(28(7)38(44)49-34)50-35-22-41(13,46-16)29(8)30(9)48-35;/h23-37,43,45H,17,19-22H2,1-16H3;/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32-,33-,34+,35?,36-,37+,40-,41+;/m0./s1
• InChIKey: RBCNNDUPPNLWKG-JKMWOKHFSA-N
• XLogP: 6.42
• TPSA: 106.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.99
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium?

The IUPAC name of [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium (CID 58665229) is [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium.

What is the SMILES notation for [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium?

The canonical SMILES for [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium is CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](C)[C@H](C)O2)[C@H](C)[C@@H](C[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2C)[C@@](C)(O)C[C@@H](C)C(=[V])[C@H](C)[C@@H](O)C1(C)C.

What is the InChIKey of [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium?

The InChIKey is RBCNNDUPPNLWKG-JKMWOKHFSA-N. The full InChI is InChI=1S/C41H75NO8.V/c1-17-34-39(10,11)37(43)24(3)18-23(2)21-40(12,45)31(20-33-27(6)32(42(14)15)19-25(4)47-33)26(5)36(28(7)38(44)49-34)50-35-22-41(13,46-16)29(8)30(9)48-35;/h23-37,43,45H,17,19-22H2,1-16H3;/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32-,33-,34+,35?,36-,37+,40-,41+;/m0./s1.

What are the key properties of [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium?

[(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium has a molecular weight of 760.99 g/mol, XLogP of 6.42, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R,5R,7R,9S,10R,11R,12S,13R)-10-[[(2S,3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]methyl]-2-ethyl-4,9-dihydroxy-12-[(4R,5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-3,3,5,7,9,11,13-heptamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium is sourced from PubChem (CID 58665229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).