cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate

C35H70N3O9PSi3 — CID 11216548

IUPACcyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate
SMILESCOP(O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](OC1CCCCCCCCCCC1)(O[Si](C)(C)C)O[Si](C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C35H70N3O9PSi3/c1-27(2)38(28(3)4)48(41-6)44-31-24-33(37-25-29(5)34(39)36-35(37)40)43-32(31)26-42-51(46-49(7,8)9,47-50(10,11)12)45-30-22-20-18-16-14-13-15-17-19-21-23-30/h25,27-28,30-33H,13-24,26H2,1-12H3,(H,36,39,40)/t31-,32+,33+,48?/m0/s1
InChIKeyGHUUYPWWDNIBMX-NNEHKIPESA-N
MW792.19 g/mol
LogP8.35
Rot. Bonds16

About cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate

cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate (PubChem CID 11216548) has the molecular formula C35H70N3O9PSi3 and a molecular weight of 792.19 g/mol. Its IUPAC name is cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate.

Molecular Properties

Compound Namecyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate
PubChem CID11216548
Molecular FormulaC35H70N3O9PSi3
Molecular Weight792.19 g/mol
Exact Mass791.42
IUPAC Namecyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate
SMILESCOP(O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](OC1CCCCCCCCCCC1)(O[Si](C)(C)C)O[Si](C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C35H70N3O9PSi3/c1-27(2)38(28(3)4)48(41-6)44-31-24-33(37-25-29(5)34(39)36-35(37)40)43-32(31)26-42-51(46-49(7,8)9,47-50(10,11)12)45-30-22-20-18-16-14-13-15-17-19-21-23-30/h25,27-28,30-33H,13-24,26H2,1-12H3,(H,36,39,40)/t31-,32+,33+,48?/m0/s1
InChIKeyGHUUYPWWDNIBMX-NNEHKIPESA-N
XLogP8.35
TPSA122.71 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500792.19
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-[[(2R,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] 2-O-cyclohexyl oxalate
CID 59685276
5-methyl-1-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 90912443
1-[(2R,4S,5R)-5-[bis[di(propan-2-yl)amino]phosphanyloxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101468293
5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 10875358
3-[[(2S,3R,5R)-2-(bromomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 121290959
S-[2-[2-[[di(propan-2-yl)amino]-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanyl]oxyethoxy]ethyl] propanethioate
CID 91397501
1-[(2R,5R)-4-[1-(4-bromophenyl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriooxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;tritiomethane
CID 160736243
3-[[di(propan-2-yl)amino]-[[(2S,6R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]oxy]phosphanyl]oxypropanenitrile
CID 134566919
1-[(2R,5R)-4-(dihexadecoxymethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140867476
1-[(2R,5R)-4-[(6-bromonaphthalen-2-yl)methoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriooxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;tritiomethane
CID 161110065
1-[(4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68952088
1-[(2S,4R,5S)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90702057

Frequently Asked Questions

What is the IUPAC name of cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate?
The IUPAC name of cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate (CID 11216548) is cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate.
What is the SMILES notation for cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate?
The canonical SMILES for cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate is COP(O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](OC1CCCCCCCCCCC1)(O[Si](C)(C)C)O[Si](C)(C)C)N(C(C)C)C(C)C.
What is the InChIKey of cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate?
The InChIKey is GHUUYPWWDNIBMX-NNEHKIPESA-N. The full InChI is InChI=1S/C35H70N3O9PSi3/c1-27(2)38(28(3)4)48(41-6)44-31-24-33(37-25-29(5)34(39)36-35(37)40)43-32(31)26-42-51(46-49(7,8)9,47-50(10,11)12)45-30-22-20-18-16-14-13-15-17-19-21-23-30/h25,27-28,30-33H,13-24,26H2,1-12H3,(H,36,39,40)/t31-,32+,33+,48?/m0/s1.
What are the key properties of cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate?
cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate has a molecular weight of 792.19 g/mol, XLogP of 8.35, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl [(2R,3S,5R)-3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) silicate is sourced from PubChem (CID 11216548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).