(1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene]

C10H20Cl2N3O7P3 — CID 139151803

About (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene]

(1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene] (PubChem CID 139151803) has the molecular formula C10H20Cl2N3O7P3 and a molecular weight of 458.11 g/mol. Its IUPAC name is (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene].

Molecular Properties

• Compound Name: (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene]
• PubChem CID: 139151803
• Molecular Formula: C10H20Cl2N3O7P3
• Molecular Weight: 458.11 g/mol
• Exact Mass: 456.99
• IUPAC Name: (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene]
• SMILES: Cl[P@@]12=N[P@@](Cl)(=NP3(=N1)OCCO3)OCCOCCOCCOCCO2
• InChI: InChI=1S/C10H20Cl2N3O7P3/c11-23-13-24(12,15-25(14-23)21-9-10-22-25)20-8-6-18-4-2-16-1-3-17-5-7-19-23/h1-10H2/t23-,24+
• InChIKey: MYVSVSWBIZXFFL-PSWAGMNNSA-N
• XLogP: 4.46
• TPSA: 101.69 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.11
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene]?

The IUPAC name of (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene] (CID 139151803) is (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene].

What is the SMILES notation for (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene]?

The canonical SMILES for (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene] is Cl[P@@]12=N[P@@](Cl)(=NP3(=N1)OCCO3)OCCOCCOCCOCCO2.

What is the InChIKey of (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene]?

The InChIKey is MYVSVSWBIZXFFL-PSWAGMNNSA-N. The full InChI is InChI=1S/C10H20Cl2N3O7P3/c11-23-13-24(12,15-25(14-23)21-9-10-22-25)20-8-6-18-4-2-16-1-3-17-5-7-19-23/h1-10H2/t23-,24+.

What are the key properties of (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene]?

(1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene] has a molecular weight of 458.11 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1'S,15'S)-1',15'-dichlorospiro[1,3-dioxa-2λ5-phosphacyclopentane-2,17'-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene] is sourced from PubChem (CID 139151803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).