(1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone

About (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone

(1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone (PubChem CID 174094554) has the molecular formula C34H57N3O10 and a molecular weight of 667.84 g/mol. Its IUPAC name is (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone.

Molecular Properties

Compound Name	(1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone
PubChem CID	174094554
Molecular Formula	C34H57N3O10
Molecular Weight	667.84 g/mol
Exact Mass	667.40
IUPAC Name	(1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone
SMILES	CC[C@@H]1OC(=O)[C@]2(C)CCC(=O)CO[C@@](C)(C[C@H](C)CN[C@@H](C)[C@H]3NC(=O)O[C@@]13C)[C@@H](OC1OC(C)CC(N(C)C)C1O)[C@@H](C)C2=O
InChI	InChI=1S/C34H57N3O10/c1-11-24-34(8)26(36-31(42)47-34)21(5)35-16-18(2)15-33(7)28(46-29-25(39)23(37(9)10)14-19(3)44-29)20(4)27(40)32(6,30(41)45-24)13-12-22(38)17-43-33/h18-21,23-26,28-29,35,39H,11-17H2,1-10H3,(H,36,42)/t18-,19?,20-,21-,23?,24-,25?,26+,28-,29?,32+,33-,34-/m0/s1
InChIKey	AOVITBDXUKGYPK-CVKSAZMWSA-N
XLogP	2.35
TPSA	161.96 Å²
H-Bond Donors	3
H-Bond Acceptors	12
Rotatable Bonds	4
Heavy Atoms	47
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.84
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone?

The IUPAC name of (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone (CID 174094554) is (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone.

What is the SMILES notation for (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone?

The canonical SMILES for (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone is CC[C@@H]1OC(=O)[C@]2(C)CCC(=O)CO[C@@](C)(C[C@H](C)CN[C@@H](C)[C@H]3NC(=O)O[C@@]13C)[C@@H](OC1OC(C)CC(N(C)C)C1O)[C@@H](C)C2=O.

What is the InChIKey of (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone?

The InChIKey is AOVITBDXUKGYPK-CVKSAZMWSA-N. The full InChI is InChI=1S/C34H57N3O10/c1-11-24-34(8)26(36-31(42)47-34)21(5)35-16-18(2)15-33(7)28(46-29-25(39)23(37(9)10)14-19(3)44-29)20(4)27(40)32(6,30(41)45-24)13-12-22(38)17-43-33/h18-21,23-26,28-29,35,39H,11-17H2,1-10H3,(H,36,42)/t18-,19?,20-,21-,23?,24-,25?,26+,28-,29?,32+,33-,34-/m0/s1.

What are the key properties of (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone?

(1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone has a molecular weight of 667.84 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S,5R,9R,10S,13S,15S,22R,23S)-23-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-1,5,10,13,15,22-hexamethyl-3,6,16-trioxa-8,11-diazatricyclo[13.5.3.05,9]tricosane-2,7,18,21-tetrone is sourced from PubChem (CID 174094554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).