[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+)

C162H162I6N10O33V — CID 161478952

About [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+)

[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+) (PubChem CID 161478952) has the molecular formula C162H162I6N10O33V and a molecular weight of 3589.48 g/mol. Its IUPAC name is [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+).

Molecular Properties

• Compound Name: [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+)
• PubChem CID: 161478952
• Molecular Formula: C162H162I6N10O33V
• Molecular Weight: 3589.48 g/mol
• Exact Mass: 3587.50
• IUPAC Name: [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+)
• SMILES: CN(CCO)C(=O)OCC1c2ccccc2-c2ccccc21.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccc(CCC(=O)Cc5ccc(O)cc5)cc4)nc3=O)C[C@H]2OC(=O)CCC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccc(CCC(=O)Cc5ccc(OC(=O)OCCN(C)C(=O)OCC6c7ccccc7-c7ccccc76)cc5)cc4)nc3=O)C[C@H]2OC(=O)CCC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.IC(I)I.O=CC(Cc1ccc(O)cc1)NC(I)I.[CH2-]I.[NH-]C(C=O)Cc1ccc(O)cc1.[V+2]
• InChI: InChI=1S/C71H68N4O15.C52H51N3O11.C18H19NO3.C10H11I2NO2.C9H10NO2.CHI3.CH2I.V/c1-46(76)18-37-66(78)90-62-43-65(89-63(62)45-87-71(50-12-6-5-7-13-50,51-26-33-54(83-3)34-27-51)52-28-35-55(84-4)36-29-52)75-39-38-64(73-68(75)80)72-67(79)49-24-19-47(20-25-49)21-30-53(77)42-48-22-31-56(32-23-48)88-70(82)85-41-40-74(2)69(81)86-44-61-59-16-10-8-14-57(59)58-15-9-11-17-60(58)61;1-34(56)9-28-49(59)66-45-32-48(55-30-29-47(54-51(55)61)53-50(60)37-15-10-35(11-16-37)12-23-42(58)31-36-13-21-41(57)22-14-36)65-46(45)33-64-52(38-7-5-4-6-8-38,39-17-24-43(62-2)25-18-39)40-19-26-44(63-3)27-20-40;1-19(10-11-20)18(21)22-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;11-10(12)13-8(6-14)5-7-1-3-9(15)4-2-7;10-8(6-11)5-7-1-3-9(12)4-2-7;2-1(3)4;1-2;/h5-17,19-20,22-29,31-36,38-39,61-63,65H,18,21,30,37,40-45H2,1-4H3,(H,72,73,79,80);4-8,10-11,13-22,24-27,29-30,45-46,48,57H,9,12,23,28,31-33H2,1-3H3,(H,53,54,60,61);2-9,17,20H,10-12H2,1H3;1-4,6,8,10,13,15H,5H2;1-4,6,8,10,12H,5H2;1H;1H2;/q;;;;-1;;-1;+2/t62-,63-,65-;45-,46-,48-;;;;;;/m11....../s1
• InChIKey: WECBEFDTFNYPSW-IBRWLETPSA-N
• XLogP: 29.22
• TPSA: 568.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 58
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3589.48
LogP ≤ 5	29.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+)?

The IUPAC name of [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+) (CID 161478952) is [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+).

What is the SMILES notation for [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+)?

The canonical SMILES for [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+) is CN(CCO)C(=O)OCC1c2ccccc2-c2ccccc21.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccc(CCC(=O)Cc5ccc(O)cc5)cc4)nc3=O)C[C@H]2OC(=O)CCC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccc(CCC(=O)Cc5ccc(OC(=O)OCCN(C)C(=O)OCC6c7ccccc7-c7ccccc76)cc5)cc4)nc3=O)C[C@H]2OC(=O)CCC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.IC(I)I.O=CC(Cc1ccc(O)cc1)NC(I)I.[CH2-]I.[NH-]C(C=O)Cc1ccc(O)cc1.[V+2].

What is the InChIKey of [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+)?

The InChIKey is WECBEFDTFNYPSW-IBRWLETPSA-N. The full InChI is InChI=1S/C71H68N4O15.C52H51N3O11.C18H19NO3.C10H11I2NO2.C9H10NO2.CHI3.CH2I.V/c1-46(76)18-37-66(78)90-62-43-65(89-63(62)45-87-71(50-12-6-5-7-13-50,51-26-33-54(83-3)34-27-51)52-28-35-55(84-4)36-29-52)75-39-38-64(73-68(75)80)72-67(79)49-24-19-47(20-25-49)21-30-53(77)42-48-22-31-56(32-23-48)88-70(82)85-41-40-74(2)69(81)86-44-61-59-16-10-8-14-57(59)58-15-9-11-17-60(58)61;1-34(56)9-28-49(59)66-45-32-48(55-30-29-47(54-51(55)61)53-50(60)37-15-10-35(11-16-37)12-23-42(58)31-36-13-21-41(57)22-14-36)65-46(45)33-64-52(38-7-5-4-6-8-38,39-17-24-43(62-2)25-18-39)40-19-26-44(63-3)27-20-40;1-19(10-11-20)18(21)22-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;11-10(12)13-8(6-14)5-7-1-3-9(15)4-2-7;10-8(6-11)5-7-1-3-9(12)4-2-7;2-1(3)4;1-2;/h5-17,19-20,22-29,31-36,38-39,61-63,65H,18,21,30,37,40-45H2,1-4H3,(H,72,73,79,80);4-8,10-11,13-22,24-27,29-30,45-46,48,57H,9,12,23,28,31-33H2,1-3H3,(H,53,54,60,61);2-9,17,20H,10-12H2,1H3;1-4,6,8,10,13,15H,5H2;1-4,6,8,10,12H,5H2;1H;1H2;/q;;;;-1;;-1;+2/t62-,63-,65-;45-,46-,48-;;;;;;/m11....../s1.

What are the key properties of [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+)?

[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+) has a molecular weight of 3589.48 g/mol, XLogP of 29.22, 58 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-[4-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxycarbonyloxy]phenyl]-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[[4-[4-(4-hydroxyphenyl)-3-oxobutyl]benzoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;2-(diiodomethylamino)-3-(4-hydroxyphenyl)propanal;9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-methylcarbamate;[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]azanide;iodoform;iodomethane;vanadium(2+) is sourced from PubChem (CID 161478952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).