(3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

C97H172N18O19P6Si — CID 162191403

IUPAC(3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
SMILESC=C1N=C(N)C(C)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C(CC)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C(CO[Si](C)(C)C(C)(C)C)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1N=C(N)C=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@]1(C)O.C=C1N=C(N)C=CN1C1O[C@](C)(CCP(=C)(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H40N3O4PSi.C16H28N3O3P.4C15H26N3O3P/c1-14-23-19(22)15(13-27-30(8,9)21(2,3)4)12-24(14)20-18(26)17(25)16(28-20)10-11-29(5,6)7;1-6-11-9-19(10(2)18-15(11)17)16-14(21)13(20)12(22-16)7-8-23(3,4)5;2*1-10-17-12(16)6-8-18(10)14-15(2,20)13(19)11(21-14)7-9-22(3,4)5;1-10-17-11(16)6-8-18(10)14-12(19)13(20)15(2,21-14)7-9-22(3,4)5;1-9-8-18(10(2)17-14(9)16)15-13(20)12(19)11(21-15)6-7-22(3,4)5/h12,16-18,20,25-26H,1,5,10-11,13H2,2-4,6-9H3,(H2,22,23);9,12-14,16,20-21H,2-3,6-8H2,1,4-5H3,(H2,17,18);2*6,8,11,13-14,19-20H,1,3,7,9H2,2,4-5H3,(H2,16,17);6,8,12-14,19-20H,1,3,7,9H2,2,4-5H3,(H2,16,17);8,11-13,15,19-20H,2-3,6-7H2,1,4-5H3,(H2,16,17)/t16-,17-,18-,20?;12-,13-,14-,16?;11-,13-,14?,15+;11-,13-,14?,15-;12-,13+,14?,15-;11-,12-,13-,15?/m111111/s1
InChIKeyZQIRVTPNMNWUKW-QMYZRZJBSA-N
MW2108.48 g/mol
LogP5.87
Rot. Bonds28

About (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

(3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (PubChem CID 162191403) has the molecular formula C97H172N18O19P6Si and a molecular weight of 2108.48 g/mol. Its IUPAC name is (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
PubChem CID162191403
Molecular FormulaC97H172N18O19P6Si
Molecular Weight2108.48 g/mol
Exact Mass2107.12
IUPAC Name(3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
SMILESC=C1N=C(N)C(C)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C(CC)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C(CO[Si](C)(C)C(C)(C)C)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1N=C(N)C=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@]1(C)O.C=C1N=C(N)C=CN1C1O[C@](C)(CCP(=C)(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H40N3O4PSi.C16H28N3O3P.4C15H26N3O3P/c1-14-23-19(22)15(13-27-30(8,9)21(2,3)4)12-24(14)20-18(26)17(25)16(28-20)10-11-29(5,6)7;1-6-11-9-19(10(2)18-15(11)17)16-14(21)13(20)12(22-16)7-8-23(3,4)5;2*1-10-17-12(16)6-8-18(10)14-15(2,20)13(19)11(21-14)7-9-22(3,4)5;1-10-17-11(16)6-8-18(10)14-12(19)13(20)15(2,21-14)7-9-22(3,4)5;1-9-8-18(10(2)17-14(9)16)15-13(20)12(19)11(21-15)6-7-22(3,4)5/h12,16-18,20,25-26H,1,5,10-11,13H2,2-4,6-9H3,(H2,22,23);9,12-14,16,20-21H,2-3,6-8H2,1,4-5H3,(H2,17,18);2*6,8,11,13-14,19-20H,1,3,7,9H2,2,4-5H3,(H2,16,17);6,8,12-14,19-20H,1,3,7,9H2,2,4-5H3,(H2,16,17);8,11-13,15,19-20H,2-3,6-7H2,1,4-5H3,(H2,16,17)/t16-,17-,18-,20?;12-,13-,14-,16?;11-,13-,14?,15+;11-,13-,14?,15-;12-,13+,14?,15-;11-,12-,13-,15?/m111111/s1
InChIKeyZQIRVTPNMNWUKW-QMYZRZJBSA-N
XLogP5.87
TPSA557.09 Ų
H-Bond Donors18
H-Bond Acceptors37
Rotatable Bonds28
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002108.48
LogP ≤ 55.87
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (CID 162191403) is (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is C=C1N=C(N)C(C)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C(CC)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C(CO[Si](C)(C)C(C)(C)C)=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1N=C(N)C=CN1C1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@]1(C)O.C=C1N=C(N)C=CN1C1O[C@](C)(CCP(=C)(C)C)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?
The InChIKey is ZQIRVTPNMNWUKW-QMYZRZJBSA-N. The full InChI is InChI=1S/C21H40N3O4PSi.C16H28N3O3P.4C15H26N3O3P/c1-14-23-19(22)15(13-27-30(8,9)21(2,3)4)12-24(14)20-18(26)17(25)16(28-20)10-11-29(5,6)7;1-6-11-9-19(10(2)18-15(11)17)16-14(21)13(20)12(22-16)7-8-23(3,4)5;2*1-10-17-12(16)6-8-18(10)14-15(2,20)13(19)11(21-14)7-9-22(3,4)5;1-10-17-11(16)6-8-18(10)14-12(19)13(20)15(2,21-14)7-9-22(3,4)5;1-9-8-18(10(2)17-14(9)16)15-13(20)12(19)11(21-15)6-7-22(3,4)5/h12,16-18,20,25-26H,1,5,10-11,13H2,2-4,6-9H3,(H2,22,23);9,12-14,16,20-21H,2-3,6-8H2,1,4-5H3,(H2,17,18);2*6,8,11,13-14,19-20H,1,3,7,9H2,2,4-5H3,(H2,16,17);6,8,12-14,19-20H,1,3,7,9H2,2,4-5H3,(H2,16,17);8,11-13,15,19-20H,2-3,6-7H2,1,4-5H3,(H2,16,17)/t16-,17-,18-,20?;12-,13-,14-,16?;11-,13-,14?,15+;11-,13-,14?,15-;12-,13+,14?,15-;11-,12-,13-,15?/m111111/s1.
What are the key properties of (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?
(3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol has a molecular weight of 2108.48 g/mol, XLogP of 5.87, 28 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-ethyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3S,4R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol;(3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-methyloxolane-3,4-diol;(3R,4S,5R)-2-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is sourced from PubChem (CID 162191403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).