(4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione

C23H24ClN5O8 — CID 144673421

About (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione

(4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione (PubChem CID 144673421) has the molecular formula C23H24ClN5O8 and a molecular weight of 533.93 g/mol. Its IUPAC name is (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione.

Molecular Properties

• Compound Name: (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione
• PubChem CID: 144673421
• Molecular Formula: C23H24ClN5O8
• Molecular Weight: 533.93 g/mol
• Exact Mass: 533.13
• IUPAC Name: (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione
• SMILES: C[C@@H]1CN2c3c(cc4c(N5C(=O)OCC5CCCO)noc4c3Cl)CC3(C(=O)NC(=O)NC3=O)C2CO1
• InChI: InChI=1S/C23H24ClN5O8/c1-10-7-28-14(9-35-10)23(19(31)25-21(33)26-20(23)32)6-11-5-13-17(15(24)16(11)28)37-27-18(13)29-12(3-2-4-30)8-36-22(29)34/h5,10,12,14,30H,2-4,6-9H2,1H3,(H2,25,26,31,32,33)/t10-,12?,14?/m1/s1
• InChIKey: CSDBPKXCHGVIKR-PWQPVHBWSA-N
• XLogP: 1.08
• TPSA: 163.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.93
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	3
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 (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione?

The IUPAC name of (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione (CID 144673421) is (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione.

What is the SMILES notation for (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione?

The canonical SMILES for (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione is C[C@@H]1CN2c3c(cc4c(N5C(=O)OCC5CCCO)noc4c3Cl)CC3(C(=O)NC(=O)NC3=O)C2CO1.

What is the InChIKey of (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione?

The InChIKey is CSDBPKXCHGVIKR-PWQPVHBWSA-N. The full InChI is InChI=1S/C23H24ClN5O8/c1-10-7-28-14(9-35-10)23(19(31)25-21(33)26-20(23)32)6-11-5-13-17(15(24)16(11)28)37-27-18(13)29-12(3-2-4-30)8-36-22(29)34/h5,10,12,14,30H,2-4,6-9H2,1H3,(H2,25,26,31,32,33)/t10-,12?,14?/m1/s1.

What are the key properties of (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione?

(4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione has a molecular weight of 533.93 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4'R)-17'-chloro-13'-[4-(3-hydroxypropyl)-2-oxo-1,3-oxazolidin-3-yl]-4'-methylspiro[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]-2,4,6-trione is sourced from PubChem (CID 144673421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).