[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate

C73H93F2N27O43P6S2 — CID 174066359

IUPAC[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC)C1OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](F)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OC)C1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OP(=O)(S)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)C1O
InChIInChI=1S/C73H93F2N27O43P6S2/c1-7-25-44(49(123-3)64(133-25)97-11-8-32(76)87-71(97)109)142-148(116,117)127-15-27-42(35(74)61(135-27)96-12-9-33(103)88-72(96)110)140-146(112,113)129-17-29-45(50(124-4)66(137-29)101-23-85-39-56(101)91-69(79)94-59(39)107)143-149(118,119)128-16-28-43(36(75)62(136-28)100-22-84-38-55(100)90-68(78)93-58(38)106)141-147(114,115)130-18-30-46(51(125-5)65(138-30)99-21-83-37-53(77)81-20-82-54(37)99)144-151(121,153)132-19-31-47(52(126-6)67(139-31)102-24-86-40-57(102)92-70(80)95-60(40)108)145-150(120,152)131-14-26-41(105)48(122-2)63(134-26)98-13-10-34(104)89-73(98)111/h8-13,20-31,35-36,41-52,61-67,105H,7,14-19H2,1-6H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,152)(H,121,153)(H2,76,87,109)(H2,77,81,82)(H,88,103,110)(H,89,104,111)(H3,78,90,93,106)(H3,79,91,94,107)(H3,80,92,95,108)/t25-,26-,27-,28-,29-,30-,31-,35+,36+,41?,42?,43?,44?,45?,46?,47?,48+,49+,50+,51+,52+,61-,62-,63-,64-,65-,66-,67-,150?,151?/m1/s1
InChIKeyKORRDTIQAOVRCE-SFIAHMGXSA-N
MW2324.67 g/mol
LogP-3.63
Rot. Bonds43

About [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate

[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate (PubChem CID 174066359) has the molecular formula C73H93F2N27O43P6S2 and a molecular weight of 2324.67 g/mol. Its IUPAC name is [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate.

Molecular Properties

Compound Name[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate
PubChem CID174066359
Molecular FormulaC73H93F2N27O43P6S2
Molecular Weight2324.67 g/mol
Exact Mass2323.38
IUPAC Name[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC)C1OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](F)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OC)C1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OP(=O)(S)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)C1O
InChIInChI=1S/C73H93F2N27O43P6S2/c1-7-25-44(49(123-3)64(133-25)97-11-8-32(76)87-71(97)109)142-148(116,117)127-15-27-42(35(74)61(135-27)96-12-9-33(103)88-72(96)110)140-146(112,113)129-17-29-45(50(124-4)66(137-29)101-23-85-39-56(101)91-69(79)94-59(39)107)143-149(118,119)128-16-28-43(36(75)62(136-28)100-22-84-38-55(100)90-68(78)93-58(38)106)141-147(114,115)130-18-30-46(51(125-5)65(138-30)99-21-83-37-53(77)81-20-82-54(37)99)144-151(121,153)132-19-31-47(52(126-6)67(139-31)102-24-86-40-57(102)92-70(80)95-60(40)108)145-150(120,152)131-14-26-41(105)48(122-2)63(134-26)98-13-10-34(104)89-73(98)111/h8-13,20-31,35-36,41-52,61-67,105H,7,14-19H2,1-6H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,152)(H,121,153)(H2,76,87,109)(H2,77,81,82)(H,88,103,110)(H,89,104,111)(H3,78,90,93,106)(H3,79,91,94,107)(H3,80,92,95,108)/t25-,26-,27-,28-,29-,30-,31-,35+,36+,41?,42?,43?,44?,45?,46?,47?,48+,49+,50+,51+,52+,61-,62-,63-,64-,65-,66-,67-,150?,151?/m1/s1
InChIKeyKORRDTIQAOVRCE-SFIAHMGXSA-N
XLogP-3.63
TPSA937.27 Ų
H-Bond Donors17
H-Bond Acceptors61
Rotatable Bonds43
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002324.67
LogP ≤ 5-3.63
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate?
The IUPAC name of [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate (CID 174066359) is [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate.
What is the SMILES notation for [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate?
The canonical SMILES for [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate is CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC)C1OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](F)C1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OC)C1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OP(=O)(S)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)C1O.
What is the InChIKey of [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate?
The InChIKey is KORRDTIQAOVRCE-SFIAHMGXSA-N. The full InChI is InChI=1S/C73H93F2N27O43P6S2/c1-7-25-44(49(123-3)64(133-25)97-11-8-32(76)87-71(97)109)142-148(116,117)127-15-27-42(35(74)61(135-27)96-12-9-33(103)88-72(96)110)140-146(112,113)129-17-29-45(50(124-4)66(137-29)101-23-85-39-56(101)91-69(79)94-59(39)107)143-149(118,119)128-16-28-43(36(75)62(136-28)100-22-84-38-55(100)90-68(78)93-58(38)106)141-147(114,115)130-18-30-46(51(125-5)65(138-30)99-21-83-37-53(77)81-20-82-54(37)99)144-151(121,153)132-19-31-47(52(126-6)67(139-31)102-24-86-40-57(102)92-70(80)95-60(40)108)145-150(120,152)131-14-26-41(105)48(122-2)63(134-26)98-13-10-34(104)89-73(98)111/h8-13,20-31,35-36,41-52,61-67,105H,7,14-19H2,1-6H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,152)(H,121,153)(H2,76,87,109)(H2,77,81,82)(H,88,103,110)(H,89,104,111)(H3,78,90,93,106)(H3,79,91,94,107)(H3,80,92,95,108)/t25-,26-,27-,28-,29-,30-,31-,35+,36+,41?,42?,43?,44?,45?,46?,47?,48+,49+,50+,51+,52+,61-,62-,63-,64-,65-,66-,67-,150?,151?/m1/s1.
What are the key properties of [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate?
[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate has a molecular weight of 2324.67 g/mol, XLogP of -3.63, 43 rotatable bonds, 17 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 174066359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).