(7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione

C28H51N3O7 — CID 175971672

About (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione

(7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione (PubChem CID 175971672) has the molecular formula C28H51N3O7 and a molecular weight of 541.73 g/mol. Its IUPAC name is (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione.

Molecular Properties

• Compound Name: (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione
• PubChem CID: 175971672
• Molecular Formula: C28H51N3O7
• Molecular Weight: 541.73 g/mol
• Exact Mass: 541.37
• IUPAC Name: (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione
• SMILES: COC1(C)C[C@@H](C)CN(C)C2(COC(=O)C(C)C(=O)C(C)C1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)CN(C)C2
• InChI: InChI=1S/C28H51N3O7/c1-17-12-27(5,35-10)24(38-26-23(33)21(29(6)7)11-18(2)37-26)19(3)22(32)20(4)25(34)36-16-28(31(9)13-17)14-30(8)15-28/h17-21,23-24,26,33H,11-16H2,1-10H3/t17-,18-,19?,20?,21+,23-,24?,26+,27?/m1/s1
• InChIKey: PEGODZFQSJCPCE-HGGSSVBMSA-N
• XLogP: 1.24
• TPSA: 101.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.73
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione?

The IUPAC name of (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione (CID 175971672) is (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione.

What is the SMILES notation for (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione?

The canonical SMILES for (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione is COC1(C)C[C@@H](C)CN(C)C2(COC(=O)C(C)C(=O)C(C)C1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)CN(C)C2.

What is the InChIKey of (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione?

The InChIKey is PEGODZFQSJCPCE-HGGSSVBMSA-N. The full InChI is InChI=1S/C28H51N3O7/c1-17-12-27(5,35-10)24(38-26-23(33)21(29(6)7)11-18(2)37-26)19(3)22(32)20(4)25(34)36-16-28(31(9)13-17)14-30(8)15-28/h17-21,23-24,26,33H,11-16H2,1-10H3/t17-,18-,19?,20?,21+,23-,24?,26+,27?/m1/s1.

What are the key properties of (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione?

(7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione has a molecular weight of 541.73 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13-hexamethyl-15-oxa-2,5-diazaspiro[3.12]hexadecane-12,14-dione is sourced from PubChem (CID 175971672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).