3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione

C21H40N2O7Si2 — CID 170585198

IUPAC3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)[Si](O)(O[Si](OC[C@@H]1C[C@H](O)[C@H](n2c(=O)cc[nH]c2=O)O1)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C21H40N2O7Si2/c1-13(2)31(27,14(3)4)30-32(15(5)6,16(7)8)28-12-17-11-18(24)20(29-17)23-19(25)9-10-22-21(23)26/h9-10,13-18,20,24,27H,11-12H2,1-8H3,(H,22,26)/t17-,18-,20+/m0/s1
InChIKeyUBAXHAFGUBQEQT-CMKODMSKSA-N
MW488.73 g/mol
LogP2.73
Rot. Bonds10

About 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione

3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170585198) has the molecular formula C21H40N2O7Si2 and a molecular weight of 488.73 g/mol. Its IUPAC name is 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170585198
Molecular FormulaC21H40N2O7Si2
Molecular Weight488.73 g/mol
Exact Mass488.24
IUPAC Name3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)[Si](O)(O[Si](OC[C@@H]1C[C@H](O)[C@H](n2c(=O)cc[nH]c2=O)O1)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C21H40N2O7Si2/c1-13(2)31(27,14(3)4)30-32(15(5)6,16(7)8)28-12-17-11-18(24)20(29-17)23-19(25)9-10-22-21(23)26/h9-10,13-18,20,24,27H,11-12H2,1-8H3,(H,22,26)/t17-,18-,20+/m0/s1
InChIKeyUBAXHAFGUBQEQT-CMKODMSKSA-N
XLogP2.73
TPSA123.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.73
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177077743
3-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177125435
3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 131876298
3-[(6aR,8R,9S,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-1H-pyrimidine-2,4-dione
CID 177125384
3-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-1H-pyrimidine-2,4-dione
CID 57346157
1-[(2R,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22853714
3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 176863812
5-amino-3-[(2R,3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137190221
3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 174181793
3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione
CID 169242921
[(2R,3R,4S,5R)-3-benzoyloxy-5-(2,4-dioxo-1H-pyrimidin-3-yl)-4-fluorooxolan-2-yl]methyl benzoate
CID 169242858
[4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite
CID 170016723

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 170585198) is 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione is CC(C)[Si](O)(O[Si](OC[C@@H]1C[C@H](O)[C@H](n2c(=O)cc[nH]c2=O)O1)(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is UBAXHAFGUBQEQT-CMKODMSKSA-N. The full InChI is InChI=1S/C21H40N2O7Si2/c1-13(2)31(27,14(3)4)30-32(15(5)6,16(7)8)28-12-17-11-18(24)20(29-17)23-19(25)9-10-22-21(23)26/h9-10,13-18,20,24,27H,11-12H2,1-8H3,(H,22,26)/t17-,18-,20+/m0/s1.
What are the key properties of 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione?
3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 488.73 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).