[(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate

C85H126N17O30P3 — CID 162196444

About [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate

[(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate (PubChem CID 162196444) has the molecular formula C85H126N17O30P3 and a molecular weight of 1958.95 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate
• PubChem CID: 162196444
• Molecular Formula: C85H126N17O30P3
• Molecular Weight: 1958.95 g/mol
• Exact Mass: 1957.81
• IUPAC Name: [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate
• SMILES: CC(C)OC(=O)[C@H](C)CCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OCC[C@@H](C)C(=O)OC(C)C)OC2[C@@H]1O.COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OCC[C@@H](C)C(=O)OC(C)C)OC2[C@@H]1OC(=O)OCc1ccccc1.COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)OCc1ccccc1
• InChI: InChI=1S/C27H34N5O11P.C20H43N2O3P.C19H28N5O9P.C19H21N5O7/c1-15(2)40-25(33)16(3)10-11-38-44(35)39-13-18-20(43-44)21(42-27(34)37-12-17-8-6-5-7-9-17)24(41-18)32-14-29-19-22(32)30-26(28)31-23(19)36-4;1-14(2)21(15(3)4)26(22(16(5)6)17(7)8)24-13-12-19(11)20(23)25-18(9)10;1-9(2)31-18(26)10(3)5-6-29-34(27)30-7-11-14(33-34)13(25)17(32-11)24-8-21-12-15(24)22-19(20)23-16(12)28-4;1-28-16-12-15(22-18(20)23-16)24(9-21-12)17-14(13(26)11(7-25)30-17)31-19(27)29-8-10-5-3-2-4-6-10/h5-9,14-16,18,20-21,24H,10-13H2,1-4H3,(H2,28,30,31);14-19H,12-13H2,1-11H3;8-11,13-14,17,25H,5-7H2,1-4H3,(H2,20,22,23);2-6,9,11,13-14,17,25-26H,7-8H2,1H3,(H2,20,22,23)/t16-,18-,20?,21+,24-,44?;19-;10-,11-,13+,14?,17-,34?;11-,13-,14+,17-/m1111/s1
• InChIKey: ZQZQSNMYRXJJAE-QWQDYYEYSA-N
• XLogP: 10.58
• TPSA: 580.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.95
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate?

The IUPAC name of [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate (CID 162196444) is [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate.

What is the SMILES notation for [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate?

The canonical SMILES for [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate is CC(C)OC(=O)[C@H](C)CCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OCC[C@@H](C)C(=O)OC(C)C)OC2[C@@H]1O.COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OCC[C@@H](C)C(=O)OC(C)C)OC2[C@@H]1OC(=O)OCc1ccccc1.COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)OCc1ccccc1.

What is the InChIKey of [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate?

The InChIKey is ZQZQSNMYRXJJAE-QWQDYYEYSA-N. The full InChI is InChI=1S/C27H34N5O11P.C20H43N2O3P.C19H28N5O9P.C19H21N5O7/c1-15(2)40-25(33)16(3)10-11-38-44(35)39-13-18-20(43-44)21(42-27(34)37-12-17-8-6-5-7-9-17)24(41-18)32-14-29-19-22(32)30-26(28)31-23(19)36-4;1-14(2)21(15(3)4)26(22(16(5)6)17(7)8)24-13-12-19(11)20(23)25-18(9)10;1-9(2)31-18(26)10(3)5-6-29-34(27)30-7-11-14(33-34)13(25)17(32-11)24-8-21-12-15(24)22-19(20)23-16(12)28-4;1-28-16-12-15(22-18(20)23-16)24(9-21-12)17-14(13(26)11(7-25)30-17)31-19(27)29-8-10-5-3-2-4-6-10/h5-9,14-16,18,20-21,24H,10-13H2,1-4H3,(H2,28,30,31);14-19H,12-13H2,1-11H3;8-11,13-14,17,25H,5-7H2,1-4H3,(H2,20,22,23);2-6,9,11,13-14,17,25-26H,7-8H2,1H3,(H2,20,22,23)/t16-,18-,20?,21+,24-,44?;19-;10-,11-,13+,14?,17-,34?;11-,13-,14+,17-/m1111/s1.

What are the key properties of [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate?

[(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate has a molecular weight of 1958.95 g/mol, XLogP of 10.58, 37 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzyl carbonate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-[[(4aR,6R,7S)-6-(2-amino-6-methoxypurin-9-yl)-2-oxo-7-phenylmethoxycarbonyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate;propan-2-yl (2R)-4-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylbutanoate is sourced from PubChem (CID 162196444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).