1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane

C21H42N2O7Si2 — CID 173104630

IUPAC1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane
SMILESCC(C)[SiH2]O[Si](C(C)C)(C(C)C)C(C)C.O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C12H30OSi2.C9H12N2O6/c1-9(2)14-13-15(10(3)4,11(5)6)12(7)8;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h9-12H,14H2,1-8H3;1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t;4-,6-,7-,8-/m.1/s1
InChIKeyIREQSGVXQKPINB-DYIFJOFMSA-N
MW490.75 g/mol
LogP1.24
Rot. Bonds8

About 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane (PubChem CID 173104630) has the molecular formula C21H42N2O7Si2 and a molecular weight of 490.75 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane
PubChem CID173104630
Molecular FormulaC21H42N2O7Si2
Molecular Weight490.75 g/mol
Exact Mass490.25
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane
SMILESCC(C)[SiH2]O[Si](C(C)C)(C(C)C)C(C)C.O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C12H30OSi2.C9H12N2O6/c1-9(2)14-13-15(10(3)4,11(5)6)12(7)8;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h9-12H,14H2,1-8H3;1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t;4-,6-,7-,8-/m.1/s1
InChIKeyIREQSGVXQKPINB-DYIFJOFMSA-N
XLogP1.24
TPSA134.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.75
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
CID 70523066
CID 70523066
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;dioxovanadium
CID 87329408
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 23616153
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 157236336
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118465861

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane?
The IUPAC name of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane (CID 173104630) is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane?
The canonical SMILES for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane is CC(C)[SiH2]O[Si](C(C)C)(C(C)C)C(C)C.O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane?
The InChIKey is IREQSGVXQKPINB-DYIFJOFMSA-N. The full InChI is InChI=1S/C12H30OSi2.C9H12N2O6/c1-9(2)14-13-15(10(3)4,11(5)6)12(7)8;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h9-12H,14H2,1-8H3;1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t;4-,6-,7-,8-/m.1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane?
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane has a molecular weight of 490.75 g/mol, XLogP of 1.24, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;tri(propan-2-yl)-propan-2-ylsilyloxysilane is sourced from PubChem (CID 173104630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).