(3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione

C29H52N2O10 — CID 22610364

About (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione

(3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione (PubChem CID 22610364) has the molecular formula C29H52N2O10 and a molecular weight of 588.74 g/mol. Its IUPAC name is (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione.

Molecular Properties

• Compound Name: (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione
• PubChem CID: 22610364
• Molecular Formula: C29H52N2O10
• Molecular Weight: 588.74 g/mol
• Exact Mass: 588.36
• IUPAC Name: (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione
• SMILES: CC[C@H]1OC(=O)[C@H](C)C(=O)[C@@H](C)[C@@H](OC2O[C@H](C)CC(N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\O)[C@@H](C)[C@@H](O)[C@]1(C)O
• InChI: InChI=1S/C29H52N2O10/c1-11-20-29(8,37)24(34)16(4)21(30-38)14(2)13-28(7,36)25(17(5)22(32)18(6)26(35)40-20)41-27-23(33)19(31(9)10)12-15(3)39-27/h14-20,23-25,27,33-34,36-38H,11-13H2,1-10H3/b30-21+/t14-,15-,16-,17-,18-,19?,20-,23-,24-,25-,27?,28-,29-/m1/s1
• InChIKey: RQMZZVNVEDYZGA-OXKXTPBVSA-N
• XLogP: 1.33
• TPSA: 178.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.74
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione?

The IUPAC name of (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione (CID 22610364) is (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione.

What is the SMILES notation for (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione?

The canonical SMILES for (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione is CC[C@H]1OC(=O)[C@H](C)C(=O)[C@@H](C)[C@@H](OC2O[C@H](C)CC(N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\O)[C@@H](C)[C@@H](O)[C@]1(C)O.

What is the InChIKey of (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione?

The InChIKey is RQMZZVNVEDYZGA-OXKXTPBVSA-N. The full InChI is InChI=1S/C29H52N2O10/c1-11-20-29(8,37)24(34)16(4)21(30-38)14(2)13-28(7,36)25(17(5)22(32)18(6)26(35)40-20)41-27-23(33)19(31(9)10)12-15(3)39-27/h14-20,23-25,27,33-34,36-38H,11-13H2,1-10H3/b30-21+/t14-,15-,16-,17-,18-,19?,20-,23-,24-,25-,27?,28-,29-/m1/s1.

What are the key properties of (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione?

(3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione has a molecular weight of 588.74 g/mol, XLogP of 1.33, 4 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S,6R,7R,9R,10E,11R,12R,13S,14R)-6-[(3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione is sourced from PubChem (CID 22610364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).