(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone

C68H94Cl2N18O18 — CID 45142376

IUPAC(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone
SMILESCOC[C@@H]1NC(=O)[C@H]2CCCNN2C(=O)[C@@H]2CCCNN2C(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C[C@@]3(O)c4cc(-c5cc6c(cc5Cl)N[C@H]5N7C(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](COC)NC(=O)[C@H]8CCCNN8C(=O)[C@@H]8CCCNN8C(=O)[C@@H](C(C)C)NC(=O)[C@@H]7C[C@@]65O)c(Cl)cc4N[C@H]3N2C(=O)[C@@H]([C@@H](C)O)NC1=O
InChIInChI=1S/C68H94Cl2N18O18/c1-29(2)49-63(101)87-45(15-11-19-73-87)59(97)85-43(13-9-17-71-85)55(93)75-41(27-105-7)53(91)81-51(31(5)89)61(99)83-47(57(95)79-49)25-67(103)35-21-33(37(69)23-39(35)77-65(67)83)34-22-36-40(24-38(34)70)78-66-68(36,104)26-48-58(96)80-50(30(3)4)64(102)88-46(16-12-20-74-88)60(98)86-44(14-10-18-72-86)56(94)76-42(28-106-8)54(92)82-52(32(6)90)62(100)84(48)66/h21-24,29-32,41-52,65-66,71-74,77-78,89-90,103-104H,9-20,25-28H2,1-8H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t31-,32-,41+,42+,43-,44-,45+,46+,47+,48+,49-,50-,51-,52-,65+,66+,67-,68-/m1/s1
InChIKeyPJGWXFOHRMJMTI-YIBXQCHYSA-N
MW1522.51 g/mol
LogP-3.97
Rot. Bonds9

About (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone

(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone (PubChem CID 45142376) has the molecular formula C68H94Cl2N18O18 and a molecular weight of 1522.51 g/mol. Its IUPAC name is (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone.

Molecular Properties

Compound Name(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone
PubChem CID45142376
Molecular FormulaC68H94Cl2N18O18
Molecular Weight1522.51 g/mol
Exact Mass1520.64
IUPAC Name(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone
SMILESCOC[C@@H]1NC(=O)[C@H]2CCCNN2C(=O)[C@@H]2CCCNN2C(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C[C@@]3(O)c4cc(-c5cc6c(cc5Cl)N[C@H]5N7C(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](COC)NC(=O)[C@H]8CCCNN8C(=O)[C@@H]8CCCNN8C(=O)[C@@H](C(C)C)NC(=O)[C@@H]7C[C@@]65O)c(Cl)cc4N[C@H]3N2C(=O)[C@@H]([C@@H](C)O)NC1=O
InChIInChI=1S/C68H94Cl2N18O18/c1-29(2)49-63(101)87-45(15-11-19-73-87)59(97)85-43(13-9-17-71-85)55(93)75-41(27-105-7)53(91)81-51(31(5)89)61(99)83-47(57(95)79-49)25-67(103)35-21-33(37(69)23-39(35)77-65(67)83)34-22-36-40(24-38(34)70)78-66-68(36,104)26-48-58(96)80-50(30(3)4)64(102)88-46(16-12-20-74-88)60(98)86-44(14-10-18-72-86)56(94)76-42(28-106-8)54(92)82-52(32(6)90)62(100)84(48)66/h21-24,29-32,41-52,65-66,71-74,77-78,89-90,103-104H,9-20,25-28H2,1-8H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t31-,32-,41+,42+,43-,44-,45+,46+,47+,48+,49-,50-,51-,52-,65+,66+,67-,68-/m1/s1
InChIKeyPJGWXFOHRMJMTI-YIBXQCHYSA-N
XLogP-3.97
TPSA468.02 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.51
LogP ≤ 5-3.97
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,10S,13R,20S,27R,30S,32R,40S)-36-chloro-32,35-dihydroxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33,35,37-triene-2,9,12,19,26,29-hexone
CID 71503029
(3S)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-7-tert-butyl-26,27-dichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-20-yl]-3-hydroxypropanoic acid
CID 11585982
(1S,4R,7S,12R,14R,17S,20R,23S,31S)-28-[(1S,4R,7S,12R,14R,17S,20R,23S,31S)-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-2,5,8,15,18,21-hexaoxo-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-28-yl]-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-triene-2,5,8,15,18,21-hexone
CID 100952070
(3S)-3-[(1S,4R,7S,12R,14S,17R,20S,23S,31R)-7-tert-butyl-12,26,27-trichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-20-yl]-3-hydroxypropanoic acid
CID 101391585
9-(3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
CID 72827368
(3S,12S,15S,21S,24S,27S)-12-benzyl-21-[(1S)-1-hydroxyethyl]-24-methyl-9-propan-2-yl-1,7,10,13,19,22,25-heptazatetracyclo[25.3.0.03,7.015,19]triacontane-2,8,11,14,20,23,26-heptone
CID 162853382
2-formamido-3-methyl-N-[20-methyl-3,16-bis(2-methylpropyl)-2,5,12,15,18,22-hexaoxo-13-propan-2-yl-21-oxa-1,4,10,11,14,17,27-heptazatricyclo[21.4.0.06,11]heptacosan-19-yl]butanamide
CID 163128379
(1R,8S,11R,17S,20R,23S)-11,20-dibenzyl-23-[(2R)-butan-2-yl]-10-methyl-3,4,10,13,19,22,25,26-octazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
CID 56665481
(2S)-2-[(2R,5S,6S)-6-[(2E,4S,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[(3R,6S,9R,16S,17S,20R,23R)-7-hydroxy-20-[(1S)-1-hydroxyethyl]-6-(methoxymethyl)-3,4-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]butanamide
CID 163030205
2-[(2R,5S,6S)-6-[(2E,4S,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[(3R,6S,9R,16S,17S,20R,23R)-7-hydroxy-20-[(1S)-1-hydroxyethyl]-6-(methoxymethyl)-3,4-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]butanamide
CID 139587029
methyl (2S)-2-[(3R,4aS,9aR)-3-(1,3-dioxoisoindol-2-yl)-4a-hydroxy-2-oxo-3,4,9,9a-tetrahydropyrido[2,3-b]indol-1-yl]propanoate
CID 25138472
(3R,6S,15S)-3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
CID 23426982

Frequently Asked Questions

What is the IUPAC name of (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone?
The IUPAC name of (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone (CID 45142376) is (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone.
What is the SMILES notation for (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone?
The canonical SMILES for (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone is COC[C@@H]1NC(=O)[C@H]2CCCNN2C(=O)[C@@H]2CCCNN2C(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C[C@@]3(O)c4cc(-c5cc6c(cc5Cl)N[C@H]5N7C(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](COC)NC(=O)[C@H]8CCCNN8C(=O)[C@@H]8CCCNN8C(=O)[C@@H](C(C)C)NC(=O)[C@@H]7C[C@@]65O)c(Cl)cc4N[C@H]3N2C(=O)[C@@H]([C@@H](C)O)NC1=O.
What is the InChIKey of (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone?
The InChIKey is PJGWXFOHRMJMTI-YIBXQCHYSA-N. The full InChI is InChI=1S/C68H94Cl2N18O18/c1-29(2)49-63(101)87-45(15-11-19-73-87)59(97)85-43(13-9-17-71-85)55(93)75-41(27-105-7)53(91)81-51(31(5)89)61(99)83-47(57(95)79-49)25-67(103)35-21-33(37(69)23-39(35)77-65(67)83)34-22-36-40(24-38(34)70)78-66-68(36,104)26-48-58(96)80-50(30(3)4)64(102)88-46(16-12-20-74-88)60(98)86-44(14-10-18-72-86)56(94)76-42(28-106-8)54(92)82-52(32(6)90)62(100)84(48)66/h21-24,29-32,41-52,65-66,71-74,77-78,89-90,103-104H,9-20,25-28H2,1-8H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t31-,32-,41+,42+,43-,44-,45+,46+,47+,48+,49-,50-,51-,52-,65+,66+,67-,68-/m1/s1.
What are the key properties of (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone?
(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone has a molecular weight of 1522.51 g/mol, XLogP of -3.97, 9 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-32-[(1S,4R,11S,18R,21S,24R,27S,35R)-31-chloro-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-2,5,12,19,22,25-hexaoxo-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-trien-32-yl]-35-hydroxy-24-[(1R)-1-hydroxyethyl]-21-(methoxymethyl)-4-propan-2-yl-3,6,7,13,14,20,23,26,28-nonazahexacyclo[24.10.0.06,11.013,18.027,35.029,34]hexatriaconta-29(34),30,32-triene-2,5,12,19,22,25-hexone is sourced from PubChem (CID 45142376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).