(4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione

C24H28ClN5O8 — CID 129125428

About (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione

(4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione (PubChem CID 129125428) has the molecular formula C24H28ClN5O8 and a molecular weight of 549.97 g/mol. Its IUPAC name is (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione.

Molecular Properties

• Compound Name: (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione
• PubChem CID: 129125428
• Molecular Formula: C24H28ClN5O8
• Molecular Weight: 549.97 g/mol
• Exact Mass: 549.16
• IUPAC Name: (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione
• SMILES: C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5CCCO)noc4c3Cl)CC3(C(=O)NC(=O)NC3O)[C@H]2[C@H](C)O1
• InChI: InChI=1S/C24H28ClN5O8/c1-10-8-29-16-12(7-24(18(29)11(2)37-10)20(32)26-22(34)27-21(24)33)6-14-17(15(16)25)38-28-19(14)30-13(4-3-5-31)9-36-23(30)35/h6,10-11,13,18,20,31-32H,3-5,7-9H2,1-2H3,(H2,26,27,33,34)/t10-,11+,13+,18-,20?,24?/m1/s1
• InChIKey: UFCCFHVJEACUQZ-RPQCILAZSA-N
• XLogP: 1.26
• TPSA: 166.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.97
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione?

The IUPAC name of (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione (CID 129125428) is (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione.

What is the SMILES notation for (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione?

The canonical SMILES for (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione is C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5CCCO)noc4c3Cl)CC3(C(=O)NC(=O)NC3O)[C@H]2[C@H](C)O1.

What is the InChIKey of (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione?

The InChIKey is UFCCFHVJEACUQZ-RPQCILAZSA-N. The full InChI is InChI=1S/C24H28ClN5O8/c1-10-8-29-16-12(7-24(18(29)11(2)37-10)20(32)26-22(34)27-21(24)33)6-14-17(15(16)25)38-28-19(14)30-13(4-3-5-31)9-36-23(30)35/h6,10-11,13,18,20,31-32H,3-5,7-9H2,1-2H3,(H2,26,27,33,34)/t10-,11+,13+,18-,20?,24?/m1/s1.

What are the key properties of (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione?

(4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione has a molecular weight of 549.97 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4'R,6'S,7'S)-17'-chloro-6-hydroxy-13'-[(4S)-4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4-dione is sourced from PubChem (CID 129125428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).