4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C126H217N21O42P6 — CID 158539824

IUPAC4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C.CCCCO.CCCCOP(OCCC#N)N(C(C)C)C(C)C.Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.[C-]#[N+]CCOP(=O)(OCCCC)OC[C@H]1O[C@@H](n2ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2=O)C[C@@H]1OP(=O)(OCCC#N)OCCCC.[C-]#[N+]CCOP(OCCCC)OC[C@H]1O[C@@H](n2ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2=O)C[C@@H]1OP(OCCC#N)OCCCC
InChIInChI=1S/C33H53N5O14P2.C33H53N5O12P2.C19H29N3O8.C15H32N3OP.C13H27N2O2P.C9H13N3O4.C4H10O/c1-10-12-19-44-53(42,47-22-17-35-9)48-24-26-25(52-54(43,45-20-13-11-2)46-21-14-16-34)23-28(49-26)37-18-15-27(36-29(37)39)38(30(40)50-32(3,4)5)31(41)51-33(6,7)8;1-10-12-19-42-51(45-22-17-35-9)46-24-26-25(50-52(43-20-13-11-2)44-21-14-16-34)23-28(47-26)37-18-15-27(36-29(37)39)38(30(40)48-32(3,4)5)31(41)49-33(6,7)8;1-18(2,3)29-16(26)22(17(27)30-19(4,5)6)13-7-8-21(15(25)20-13)14-9-11(24)12(10-23)28-14;1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8;1-6-7-10-16-18(17-11-8-9-14)15(12(2)3)13(4)5;10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;1-2-3-4-5/h15,18,25-26,28H,10-14,17,19-24H2,1-8H3;15,18,25-26,28H,10-14,17,19-24H2,1-8H3;7-8,11-12,14,23-24H,9-10H2,1-6H3;12-15H,9,11H2,1-8H3;12-13H,6-8,10-11H2,1-5H3;1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);5H,2-4H2,1H3/t25-,26+,28+,53?,54?;25-,26+,28+,51?,52?;11-,12+,14+;;;5-,6+,8+;/m000..0./s1
InChIKeyHOJOZAJDFBNNPG-BYMKRBQWSA-N
MW2884.07 g/mol
LogP24.15
Rot. Bonds68

About 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 158539824) has the molecular formula C126H217N21O42P6 and a molecular weight of 2884.07 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID158539824
Molecular FormulaC126H217N21O42P6
Molecular Weight2884.07 g/mol
Exact Mass2882.39
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C.CCCCO.CCCCOP(OCCC#N)N(C(C)C)C(C)C.Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.[C-]#[N+]CCOP(=O)(OCCCC)OC[C@H]1O[C@@H](n2ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2=O)C[C@@H]1OP(=O)(OCCC#N)OCCCC.[C-]#[N+]CCOP(OCCCC)OC[C@H]1O[C@@H](n2ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2=O)C[C@@H]1OP(OCCC#N)OCCCC
InChIInChI=1S/C33H53N5O14P2.C33H53N5O12P2.C19H29N3O8.C15H32N3OP.C13H27N2O2P.C9H13N3O4.C4H10O/c1-10-12-19-44-53(42,47-22-17-35-9)48-24-26-25(52-54(43,45-20-13-11-2)46-21-14-16-34)23-28(49-26)37-18-15-27(36-29(37)39)38(30(40)50-32(3,4)5)31(41)51-33(6,7)8;1-10-12-19-42-51(45-22-17-35-9)46-24-26-25(50-52(43-20-13-11-2)44-21-14-16-34)23-28(47-26)37-18-15-27(36-29(37)39)38(30(40)48-32(3,4)5)31(41)49-33(6,7)8;1-18(2,3)29-16(26)22(17(27)30-19(4,5)6)13-7-8-21(15(25)20-13)14-9-11(24)12(10-23)28-14;1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8;1-6-7-10-16-18(17-11-8-9-14)15(12(2)3)13(4)5;10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;1-2-3-4-5/h15,18,25-26,28H,10-14,17,19-24H2,1-8H3;15,18,25-26,28H,10-14,17,19-24H2,1-8H3;7-8,11-12,14,23-24H,9-10H2,1-6H3;12-15H,9,11H2,1-8H3;12-13H,6-8,10-11H2,1-5H3;1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);5H,2-4H2,1H3/t25-,26+,28+,53?,54?;25-,26+,28+,51?,52?;11-,12+,14+;;;5-,6+,8+;/m000..0./s1
InChIKeyHOJOZAJDFBNNPG-BYMKRBQWSA-N
XLogP24.15
TPSA757.36 Ų
H-Bond Donors6
H-Bond Acceptors58
Rotatable Bonds68
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002884.07
LogP ≤ 524.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 158539824) is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C.CCCCO.CCCCOP(OCCC#N)N(C(C)C)C(C)C.Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.[C-]#[N+]CCOP(=O)(OCCCC)OC[C@H]1O[C@@H](n2ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2=O)C[C@@H]1OP(=O)(OCCC#N)OCCCC.[C-]#[N+]CCOP(OCCCC)OC[C@H]1O[C@@H](n2ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2=O)C[C@@H]1OP(OCCC#N)OCCCC.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is HOJOZAJDFBNNPG-BYMKRBQWSA-N. The full InChI is InChI=1S/C33H53N5O14P2.C33H53N5O12P2.C19H29N3O8.C15H32N3OP.C13H27N2O2P.C9H13N3O4.C4H10O/c1-10-12-19-44-53(42,47-22-17-35-9)48-24-26-25(52-54(43,45-20-13-11-2)46-21-14-16-34)23-28(49-26)37-18-15-27(36-29(37)39)38(30(40)50-32(3,4)5)31(41)51-33(6,7)8;1-10-12-19-42-51(45-22-17-35-9)46-24-26-25(50-52(43-20-13-11-2)44-21-14-16-34)23-28(47-26)37-18-15-27(36-29(37)39)38(30(40)48-32(3,4)5)31(41)49-33(6,7)8;1-18(2,3)29-16(26)22(17(27)30-19(4,5)6)13-7-8-21(15(25)20-13)14-9-11(24)12(10-23)28-14;1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8;1-6-7-10-16-18(17-11-8-9-14)15(12(2)3)13(4)5;10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;1-2-3-4-5/h15,18,25-26,28H,10-14,17,19-24H2,1-8H3;15,18,25-26,28H,10-14,17,19-24H2,1-8H3;7-8,11-12,14,23-24H,9-10H2,1-6H3;12-15H,9,11H2,1-8H3;12-13H,6-8,10-11H2,1-5H3;1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);5H,2-4H2,1H3/t25-,26+,28+,53?,54?;25-,26+,28+,51?,52?;11-,12+,14+;;;5-,6+,8+;/m000..0./s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 2884.07 g/mol, XLogP of 24.15, 68 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;butan-1-ol;3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphanyl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-[butoxy(2-cyanoethoxy)phosphoryl]oxy-5-[[butoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 158539824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).