CID 67799447

C18H28N5O4Si — CID 67799447

IUPAC—
SMILESC[Si](C)[C@]1(n2cnc3c(N)ncnc32)C[C@H](OC(C)(C)C)[C@@H](CCC(=O)O)O1
InChIInChI=1S/C18H28N5O4Si/c1-17(2,3)26-12-8-18(28(4)5,27-11(12)6-7-13(24)25)23-10-22-14-15(19)20-9-21-16(14)23/h9-12H,6-8H2,1-5H3,(H,24,25)(H2,19,20,21)/t11-,12+,18+/m1/s1
InChIKeyRQHSDDQRQGRECH-SOZUMNATSA-N
MW406.54 g/mol
LogP2.19
Rot. Bonds6

About CID 67799447

CID 67799447 (PubChem CID 67799447) has the molecular formula C18H28N5O4Si and a molecular weight of 406.54 g/mol.

Molecular Properties

Compound NameCID 67799447
PubChem CID67799447
Molecular FormulaC18H28N5O4Si
Molecular Weight406.54 g/mol
Exact Mass406.19
IUPAC Name—
SMILESC[Si](C)[C@]1(n2cnc3c(N)ncnc32)C[C@H](OC(C)(C)C)[C@@H](CCC(=O)O)O1
InChIInChI=1S/C18H28N5O4Si/c1-17(2,3)26-12-8-18(28(4)5,27-11(12)6-7-13(24)25)23-10-22-14-15(19)20-9-21-16(14)23/h9-12H,6-8H2,1-5H3,(H,24,25)(H2,19,20,21)/t11-,12+,18+/m1/s1
InChIKeyRQHSDDQRQGRECH-SOZUMNATSA-N
XLogP2.19
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate
CID 23240896
[(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-iodooxolan-2-yl] 2,2-dimethylpropanoate
CID 100938196
(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
CID 145088486
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67570457
3-[3-[[(3aR,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-propan-2-ylamino]cyclobutyl]propanoic acid
CID 67963237
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxolan-2-yl]methanol
CID 174863822
(2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol
CID 67780261
1-[(3R,4S,5R)-4-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-methylpropan-1-one
CID 57270283
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 68646354
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58142645
N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-2,2,2-trifluoroacetamide
CID 145099504

Frequently Asked Questions

What is the IUPAC name of CID 67799447?
The IUPAC name of CID 67799447 (CID 67799447) is not available.
What is the SMILES notation for CID 67799447?
The canonical SMILES for CID 67799447 is C[Si](C)[C@]1(n2cnc3c(N)ncnc32)C[C@H](OC(C)(C)C)[C@@H](CCC(=O)O)O1.
What is the InChIKey of CID 67799447?
The InChIKey is RQHSDDQRQGRECH-SOZUMNATSA-N. The full InChI is InChI=1S/C18H28N5O4Si/c1-17(2,3)26-12-8-18(28(4)5,27-11(12)6-7-13(24)25)23-10-22-14-15(19)20-9-21-16(14)23/h9-12H,6-8H2,1-5H3,(H,24,25)(H2,19,20,21)/t11-,12+,18+/m1/s1.
What are the key properties of CID 67799447?
CID 67799447 has a molecular weight of 406.54 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67799447 is sourced from PubChem (CID 67799447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).