[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

C108H136F5N20O54P5 — CID 158674762

About [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate (PubChem CID 158674762) has the molecular formula C108H136F5N20O54P5 and a molecular weight of 2828.22 g/mol. Its IUPAC name is [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate.

Molecular Properties

• Compound Name: [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
• PubChem CID: 158674762
• Molecular Formula: C108H136F5N20O54P5
• Molecular Weight: 2828.22 g/mol
• Exact Mass: 2826.71
• IUPAC Name: [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
• SMILES: CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@](F)(COP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)[C@H]1O.CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@](F)(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@H]1O.CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@](F)(COP(=O)(OCOC(=O)OCC)OCOC(=O)OCC)[C@H]1O.CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@]2(F)COP(=O)(OCOC(=O)CCC)O[C@@H]12.CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@]2(F)COP(=O)(OCOC(=O)OC(C)C)O[C@@H]12
• InChI: InChI=1S/C24H32FN4O13P.C24H32FN4O11P.C22H28FN4O13P.C19H22FN4O9P.C19H22FN4O8P/c1-6-8-23(33)19(30)24(25,42-20(23)29-9-7-16-17(26)27-11-28-18(16)29)10-37-43(34,38-12-35-21(31)40-14(2)3)39-13-36-22(32)41-15(4)5;1-4-7-17(30)35-14-38-41(34,39-15-36-18(31)8-5-2)37-12-24(25)21(32)23(33,10-6-3)22(40-24)29-11-9-16-19(26)27-13-28-20(16)29;1-4-8-21(31)17(28)22(23,40-18(21)27-9-7-14-15(24)25-11-26-16(14)27)10-37-41(32,38-12-35-19(29)33-5-2)39-13-36-20(30)34-6-3;1-4-6-18(26)15-19(20,8-29-34(27,33-15)30-10-28-17(25)31-11(2)3)32-16(18)24-7-5-12-13(21)22-9-23-14(12)24;1-3-5-13(25)28-11-30-33(27)29-9-19(20)16(32-33)18(26,7-4-2)17(31-19)24-8-6-12-14(21)22-10-23-15(12)24/h7,9,11,14-15,19-20,30,33H,10,12-13H2,1-5H3,(H2,26,27,28);9,11,13,21-22,32-33H,4-5,7-8,12,14-15H2,1-3H3,(H2,26,27,28);7,9,11,17-18,28,31H,5-6,10,12-13H2,1-3H3,(H2,24,25,26);5,7,9,11,15-16,26H,8,10H2,1-3H3,(H2,21,22,23);6,8,10,16-17,26H,3,5,9,11H2,1-2H3,(H2,21,22,23)/t19-,20+,23+,24+;21-,22+,23+,24+;17-,18+,21+,22+;15-,16+,18+,19+,34?;16-,17+,18+,19+,33?/m00000/s1
• InChIKey: IEJLEETZQMLBEX-MUDCOKSISA-N
• XLogP: 10.17
• TPSA: 971.99 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 74
• Rotatable Bonds: 49
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2828.22
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	74

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate?

The IUPAC name of [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate (CID 158674762) is [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate.

What is the SMILES notation for [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate?

The canonical SMILES for [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate is CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@](F)(COP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)[C@H]1O.CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@](F)(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@H]1O.CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@](F)(COP(=O)(OCOC(=O)OCC)OCOC(=O)OCC)[C@H]1O.CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@]2(F)COP(=O)(OCOC(=O)CCC)O[C@@H]12.CC#C[C@]1(O)[C@H](n2ccc3c(N)ncnc32)O[C@]2(F)COP(=O)(OCOC(=O)OC(C)C)O[C@@H]12.

What is the InChIKey of [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate?

The InChIKey is IEJLEETZQMLBEX-MUDCOKSISA-N. The full InChI is InChI=1S/C24H32FN4O13P.C24H32FN4O11P.C22H28FN4O13P.C19H22FN4O9P.C19H22FN4O8P/c1-6-8-23(33)19(30)24(25,42-20(23)29-9-7-16-17(26)27-11-28-18(16)29)10-37-43(34,38-12-35-21(31)40-14(2)3)39-13-36-22(32)41-15(4)5;1-4-7-17(30)35-14-38-41(34,39-15-36-18(31)8-5-2)37-12-24(25)21(32)23(33,10-6-3)22(40-24)29-11-9-16-19(26)27-13-28-20(16)29;1-4-8-21(31)17(28)22(23,40-18(21)27-9-7-14-15(24)25-11-26-16(14)27)10-37-41(32,38-12-35-19(29)33-5-2)39-13-36-20(30)34-6-3;1-4-6-18(26)15-19(20,8-29-34(27,33-15)30-10-28-17(25)31-11(2)3)32-16(18)24-7-5-12-13(21)22-9-23-14(12)24;1-3-5-13(25)28-11-30-33(27)29-9-19(20)16(32-33)18(26,7-4-2)17(31-19)24-8-6-12-14(21)22-10-23-15(12)24/h7,9,11,14-15,19-20,30,33H,10,12-13H2,1-5H3,(H2,26,27,28);9,11,13,21-22,32-33H,4-5,7-8,12,14-15H2,1-3H3,(H2,26,27,28);7,9,11,17-18,28,31H,5-6,10,12-13H2,1-3H3,(H2,24,25,26);5,7,9,11,15-16,26H,8,10H2,1-3H3,(H2,21,22,23);6,8,10,16-17,26H,3,5,9,11H2,1-2H3,(H2,21,22,23)/t19-,20+,23+,24+;21-,22+,23+,24+;17-,18+,21+,22+;15-,16+,18+,19+,34?;16-,17+,18+,19+,33?/m00000/s1.

What are the key properties of [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate?

[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate has a molecular weight of 2828.22 g/mol, XLogP of 10.17, 49 rotatable bonds, 13 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl butanoate;[(4aS,6R,7R,7aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4a-fluoro-7-hydroxy-2-oxo-7-prop-1-ynyl-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(butanoyloxymethoxy)phosphoryl]oxymethyl butanoate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate;[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate is sourced from PubChem (CID 158674762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).