(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid

C189H243Cl4N24O68P3 — CID 161492321

About (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid

(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid (PubChem CID 161492321) has the molecular formula C189H243Cl4N24O68P3 and a molecular weight of 4173.86 g/mol. Its IUPAC name is (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid.

Molecular Properties

• Compound Name: (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid
• PubChem CID: 161492321
• Molecular Formula: C189H243Cl4N24O68P3
• Molecular Weight: 4173.86 g/mol
• Exact Mass: 4169.43
• IUPAC Name: (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid
• SMILES: CCCCCCCCCCN(CCNC1(C)CC(OC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC5C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(=O)O)c5cc(O)c(CNCC=O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)OC(CO)C(O)C2O)OC(C)C1O)C(=O)OCc1ccc(NC(=O)OCCCC(P(=O)(O)O)P(=O)(O)O)cc1.CCCCCCCCCCNCCNC1(C)CC(OC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)C(NC(=O)C(CC(C)C)N(C)C(=O)OCc3ccc(NC(=O)OCCCC(O)C=O)cc3)C(=O)NC(CC(N)=O)C(=O)NC5C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(=O)O)c5cc(O)c(CNCC=O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)OC(CO)C(O)C2O)OC(C)C1O.O=PO
• InChI: InChI=1S/C95H120Cl2N12O31.C94H122Cl2N12O35P2.HO2P/c1-7-8-9-10-11-12-13-14-27-99-28-29-101-95(5)41-70(135-47(4)84(95)122)139-83-81(121)80(120)68(44-112)138-92(83)140-82-66-37-52-38-67(82)137-65-26-21-51(36-59(65)97)78(118)76-90(128)106-74(91(129)130)56-39-63(115)57(42-100-30-31-110)79(119)71(56)55-34-49(19-24-62(55)114)72(87(125)108-76)105-88(126)73(52)104-85(123)60(40-69(98)116)103-89(127)75(77(117)50-20-25-64(136-66)58(96)35-50)107-86(124)61(33-46(2)3)109(6)94(132)134-45-48-17-22-53(23-18-48)102-93(131)133-32-15-16-54(113)43-111;1-7-8-9-10-11-12-13-14-29-108(93(129)137-44-47-17-22-52(23-18-47)101-92(128)136-32-15-16-69(144(130,131)132)145(133,134)135)30-27-100-94(5)41-68(138-46(4)83(94)119)142-82-80(118)79(117)66(43-110)141-91(82)143-81-64-37-51-38-65(81)140-63-26-21-50(36-57(63)96)77(115)75-89(125)105-73(90(126)127)54-39-61(112)55(42-99-28-31-109)78(116)70(54)53-34-48(19-24-60(53)111)71(86(122)107-75)104-87(123)72(51)103-85(121)59(40-67(97)113)102-88(124)74(106-84(120)58(98-6)33-45(2)3)76(114)49-20-25-62(139-64)56(95)35-49;1-3-2/h17-26,31,34-39,43,46-47,54,60-61,68,70,72-78,80-81,83-84,92,99-101,112-115,117-122H,7-16,27-30,32-33,40-42,44-45H2,1-6H3,(H2,98,116)(H,102,131)(H,103,127)(H,104,123)(H,105,126)(H,106,128)(H,107,124)(H,108,125)(H,129,130);17-26,31,34-39,45-46,58-59,66,68-69,71-77,79-80,82-83,91,98-100,110-112,114-119H,7-16,27-30,32-33,40-44H2,1-6H3,(H2,97,113)(H,101,128)(H,102,124)(H,103,121)(H,104,123)(H,105,125)(H,106,120)(H,107,122)(H,126,127)(H2,130,131,132)(H2,133,134,135);(H,1,2)/t47?,54?,60?,61?,68?,70?,72?,73?,74-,75?,76?,77+,78-,80?,81?,83?,84?,92?,95?;46?,58?,59?,66?,68?,71?,72?,73-,74?,75?,76+,77-,79?,80?,82?,83?,91?,94?;/m11./s1
• InChIKey: WFTWAVIXWGXPSJ-UFYCJMKASA-N
• XLogP: 9.69
• TPSA: 1416.60 Ų
• H-Bond Donors: 48
• H-Bond Acceptors: 67
• Rotatable Bonds: 77
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4173.86
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	48
H-Bond Acceptors ≤ 10	67

Frequently Asked Questions

What is the IUPAC name of (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid?

The IUPAC name of (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid (CID 161492321) is (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid.

What is the SMILES notation for (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid?

The canonical SMILES for (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid is CCCCCCCCCCN(CCNC1(C)CC(OC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC5C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(=O)O)c5cc(O)c(CNCC=O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)OC(CO)C(O)C2O)OC(C)C1O)C(=O)OCc1ccc(NC(=O)OCCCC(P(=O)(O)O)P(=O)(O)O)cc1.CCCCCCCCCCNCCNC1(C)CC(OC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)C(NC(=O)C(CC(C)C)N(C)C(=O)OCc3ccc(NC(=O)OCCCC(O)C=O)cc3)C(=O)NC(CC(N)=O)C(=O)NC5C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(=O)O)c5cc(O)c(CNCC=O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)OC(CO)C(O)C2O)OC(C)C1O.O=PO.

What is the InChIKey of (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid?

The InChIKey is WFTWAVIXWGXPSJ-UFYCJMKASA-N. The full InChI is InChI=1S/C95H120Cl2N12O31.C94H122Cl2N12O35P2.HO2P/c1-7-8-9-10-11-12-13-14-27-99-28-29-101-95(5)41-70(135-47(4)84(95)122)139-83-81(121)80(120)68(44-112)138-92(83)140-82-66-37-52-38-67(82)137-65-26-21-51(36-59(65)97)78(118)76-90(128)106-74(91(129)130)56-39-63(115)57(42-100-30-31-110)79(119)71(56)55-34-49(19-24-62(55)114)72(87(125)108-76)105-88(126)73(52)104-85(123)60(40-69(98)116)103-89(127)75(77(117)50-20-25-64(136-66)58(96)35-50)107-86(124)61(33-46(2)3)109(6)94(132)134-45-48-17-22-53(23-18-48)102-93(131)133-32-15-16-54(113)43-111;1-7-8-9-10-11-12-13-14-29-108(93(129)137-44-47-17-22-52(23-18-47)101-92(128)136-32-15-16-69(144(130,131)132)145(133,134)135)30-27-100-94(5)41-68(138-46(4)83(94)119)142-82-80(118)79(117)66(43-110)141-91(82)143-81-64-37-51-38-65(81)140-63-26-21-50(36-57(63)96)77(115)75-89(125)105-73(90(126)127)54-39-61(112)55(42-99-28-31-109)78(116)70(54)53-34-48(19-24-60(53)111)71(86(122)107-75)104-87(123)72(51)103-85(121)59(40-67(97)113)102-88(124)74(106-84(120)58(98-6)33-45(2)3)76(114)49-20-25-62(139-64)56(95)35-49;1-3-2/h17-26,31,34-39,43,46-47,54,60-61,68,70,72-78,80-81,83-84,92,99-101,112-115,117-122H,7-16,27-30,32-33,40-42,44-45H2,1-6H3,(H2,98,116)(H,102,131)(H,103,127)(H,104,123)(H,105,126)(H,106,128)(H,107,124)(H,108,125)(H,129,130);17-26,31,34-39,45-46,58-59,66,68-69,71-77,79-80,82-83,91,98-100,110-112,114-119H,7-16,27-30,32-33,40-44H2,1-6H3,(H2,97,113)(H,101,128)(H,102,124)(H,103,121)(H,104,123)(H,105,125)(H,106,120)(H,107,122)(H,126,127)(H2,130,131,132)(H2,133,134,135);(H,1,2)/t47?,54?,60?,61?,68?,70?,72?,73?,74-,75?,76?,77+,78-,80?,81?,83?,84?,92?,95?;46?,58?,59?,66?,68?,71?,72?,73-,74?,75?,76+,77-,79?,80?,82?,83?,91?,94?;/m11./s1.

What are the key properties of (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid?

(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid has a molecular weight of 4173.86 g/mol, XLogP of 9.69, 77 rotatable bonds, 48 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[2-[[4-[(4-hydroxy-5-oxopentoxy)carbonylamino]phenyl]methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;(2R,18S,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[3-[4-[2-[decyl-[[4-(4,4-diphosphonobutoxycarbonylamino)phenyl]methoxycarbonyl]amino]ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(2-oxoethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;phosphenous acid is sourced from PubChem (CID 161492321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).