[[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate

C106H144N21O56P9 — CID 164986017

About [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate

[[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate (PubChem CID 164986017) has the molecular formula C106H144N21O56P9 and a molecular weight of 2887.17 g/mol. Its IUPAC name is [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate.

Molecular Properties

• Compound Name: [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate
• PubChem CID: 164986017
• Molecular Formula: C106H144N21O56P9
• Molecular Weight: 2887.17 g/mol
• Exact Mass: 2885.67
• IUPAC Name: [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate
• SMILES: C=C(C)NCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCC(=O)NCC#Cc2cn([C@H]3C[C@H](OC)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c(=O)nc2N)c1.C=CCOC(COc1cccc(C(=O)CCCC(=O)C(CCNC(C)=O)NC(=O)OC(C)(C)C)c1)OCC(=O)NCC#Cc1cn(C2C[C@H](OC)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12.C=CCOC(COc1cccc(C(=O)CCCC(C)=O)c1)OCC(=O)NCC#Cc1cn(C2C[C@H](OC)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12
• InChI: InChI=1S/C43H60N7O21P3.C34H44N5O18P3.C29H40N9O17P3/c1-7-19-64-38(25-65-30-13-8-11-28(20-30)32(52)14-9-15-33(53)31(16-18-45-27(2)51)49-42(55)69-43(3,4)5)66-24-36(54)46-17-10-12-29-22-50(41-39(29)40(44)47-26-48-41)37-21-34(63-6)35(68-37)23-67-73(59,60)71-74(61,62)70-72(56,57)58;1-4-14-51-31(20-52-25-11-6-9-23(15-25)26(41)12-5-8-22(2)40)53-19-29(42)36-13-7-10-24-17-39(34-32(24)33(35)37-21-38-34)30-16-27(50-3)28(55-30)18-54-59(46,47)57-60(48,49)56-58(43,44)45;1-18(2)32-10-11-34-28(40)19-6-4-8-21(12-19)50-17-25(36-37-31)51-16-24(39)33-9-5-7-20-14-38(29(41)35-27(20)30)26-13-22(49-3)23(53-26)15-52-57(45,46)55-58(47,48)54-56(42,43)44/h7-8,11,13,20,22,26,31,34-35,37-38H,1,9,14-19,21,23-25H2,2-6H3,(H,45,51)(H,46,54)(H,49,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58);4,6,9,11,15,17,21,27-28,30-31H,1,5,8,12-14,16,18-20H2,2-3H3,(H,36,42)(H,46,47)(H,48,49)(H2,35,37,38)(H2,43,44,45);4,6,8,12,14,22-23,25-26,32H,1,9-11,13,15-17H2,2-3H3,(H,33,39)(H,34,40)(H,45,46)(H,47,48)(H2,30,35,41)(H2,42,43,44)/t31?,34-,35+,37?,38?;27-,28+,30?,31?;22-,23?,25?,26+/m000/s1
• InChIKey: GECMIPWGRVESPZ-YPWNVJJSSA-N
• XLogP: 6.31
• TPSA: 1095.95 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 57
• Rotatable Bonds: 75
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2887.17
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate?

The IUPAC name of [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate (CID 164986017) is [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate.

What is the SMILES notation for [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate?

The canonical SMILES for [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate is C=C(C)NCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCC(=O)NCC#Cc2cn([C@H]3C[C@H](OC)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c(=O)nc2N)c1.C=CCOC(COc1cccc(C(=O)CCCC(=O)C(CCNC(C)=O)NC(=O)OC(C)(C)C)c1)OCC(=O)NCC#Cc1cn(C2C[C@H](OC)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12.C=CCOC(COc1cccc(C(=O)CCCC(C)=O)c1)OCC(=O)NCC#Cc1cn(C2C[C@H](OC)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12.

What is the InChIKey of [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate?

The InChIKey is GECMIPWGRVESPZ-YPWNVJJSSA-N. The full InChI is InChI=1S/C43H60N7O21P3.C34H44N5O18P3.C29H40N9O17P3/c1-7-19-64-38(25-65-30-13-8-11-28(20-30)32(52)14-9-15-33(53)31(16-18-45-27(2)51)49-42(55)69-43(3,4)5)66-24-36(54)46-17-10-12-29-22-50(41-39(29)40(44)47-26-48-41)37-21-34(63-6)35(68-37)23-67-73(59,60)71-74(61,62)70-72(56,57)58;1-4-14-51-31(20-52-25-11-6-9-23(15-25)26(41)12-5-8-22(2)40)53-19-29(42)36-13-7-10-24-17-39(34-32(24)33(35)37-21-38-34)30-16-27(50-3)28(55-30)18-54-59(46,47)57-60(48,49)56-58(43,44)45;1-18(2)32-10-11-34-28(40)19-6-4-8-21(12-19)50-17-25(36-37-31)51-16-24(39)33-9-5-7-20-14-38(29(41)35-27(20)30)26-13-22(49-3)23(53-26)15-52-57(45,46)55-58(47,48)54-56(42,43)44/h7-8,11,13,20,22,26,31,34-35,37-38H,1,9,14-19,21,23-25H2,2-6H3,(H,45,51)(H,46,54)(H,49,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58);4,6,9,11,15,17,21,27-28,30-31H,1,5,8,12-14,16,18-20H2,2-3H3,(H,36,42)(H,46,47)(H,48,49)(H2,35,37,38)(H2,43,44,45);4,6,8,12,14,22-23,25-26,32H,1,9-11,13,15-17H2,2-3H3,(H,33,39)(H,34,40)(H,45,46)(H,47,48)(H2,30,35,41)(H2,42,43,44)/t31?,34-,35+,37?,38?;27-,28+,30?,31?;22-,23?,25?,26+/m000/s1.

What are the key properties of [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate?

[[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate has a molecular weight of 2887.17 g/mol, XLogP of 6.31, 75 rotatable bonds, 22 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for [[(3S,5R)-5-[4-amino-5-[3-[[2-[1-azido-2-[3-[2-(prop-1-en-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S)-5-[4-amino-5-[3-[[2-[2-[3-(5-oxohexanoyl)phenoxy]-1-prop-2-enoxyethoxy]acetyl]amino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tert-butyl N-[1-acetamido-8-[3-[2-[2-[3-[4-amino-7-[(4S,5R)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]-2-prop-2-enoxyethoxy]phenyl]-4,8-dioxooctan-3-yl]carbamate is sourced from PubChem (CID 164986017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).