butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane

C18H77B19O26P20Si — CID 161223795

About butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane

butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane (PubChem CID 161223795) has the molecular formula C18H77B19O26P20Si and a molecular weight of 1600.93 g/mol. Its IUPAC name is butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane.

Molecular Properties

• Compound Name: butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane
• PubChem CID: 161223795
• Molecular Formula: C18H77B19O26P20Si
• Molecular Weight: 1600.93 g/mol
• Exact Mass: 1604.26
• IUPAC Name: butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane
• SMILES: CCCCOC(=O)C[C@H](CC(=O)CP(=O)(OC)OC)O[Si](C)(C)C(C)(C)C.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.[3H]OB([3H])P([3H])[3H].[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]PB=O
• InChI: InChI=1S/C18H37O7PSi.BH4OP.18BH2OP/c1-9-10-11-24-17(20)13-16(25-27(7,8)18(2,3)4)12-15(19)14-26(21,22-5)23-6;19*2-1-3/h16H,9-14H2,1-8H3;1-2H,3H2;18*3H2/t16-;;;;;;;;;;;;;;;;;;;/m0.................../s1/i;1T,2T,3T2;7*3T2;3T
• InChIKey: UXVZIMQXUMAIIY-GPUFCNAHSA-N
• XLogP: 0.55
• TPSA: 415.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1600.93
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane?

The IUPAC name of butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane (CID 161223795) is butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane.

What is the SMILES notation for butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane?

The canonical SMILES for butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane is CCCCOC(=O)C[C@H](CC(=O)CP(=O)(OC)OC)O[Si](C)(C)C(C)(C)C.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.O=BP.[3H]OB([3H])P([3H])[3H].[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]P([3H])B=O.[3H]PB=O.

What is the InChIKey of butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane?

The InChIKey is UXVZIMQXUMAIIY-GPUFCNAHSA-N. The full InChI is InChI=1S/C18H37O7PSi.BH4OP.18BH2OP/c1-9-10-11-24-17(20)13-16(25-27(7,8)18(2,3)4)12-15(19)14-26(21,22-5)23-6;19*2-1-3/h16H,9-14H2,1-8H3;1-2H,3H2;18*3H2/t16-;;;;;;;;;;;;;;;;;;;/m0.................../s1/i;1T,2T,3T2;7*3T2;3T;;;;;;;;;;.

What are the key properties of butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane?

butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane has a molecular weight of 1600.93 g/mol, XLogP of 0.55, 23 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate;ditritio-[tritio(tritiooxy)boranyl]phosphane;heptakis(oxoboranyl(ditritio)phosphane);oxoboranylphosphane;oxoboranyl(tritio)phosphane is sourced from PubChem (CID 161223795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).