[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate

C42H70O95S20 — CID 91852270

IUPAC[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate
SMILESO=S(=O)(O)OC[C@H]1O[C@@H]2O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]1[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)O[C@@H]8CO)O[C@@H]7COS(=O)(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@@H]5COS(=O)(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3COS(=O)(=O)O
InChIInChI=1S/C42H70O95S20/c43-1-8-15-22(124-144(62,63)64)29(131-151(83,84)85)36(110-8)118-16-9(2-104-138(44,45)46)112-38(31(133-153(89,90)91)23(16)125-145(65,66)67)120-18-11(4-106-140(50,51)52)114-40(33(135-155(95,96)97)25(18)127-147(71,72)73)122-20-13(6-108-142(56,57)58)116-42(35(137-157(101,102)103)27(20)129-149(77,78)79)123-21-14(7-109-143(59,60)61)115-41(34(136-156(98,99)100)28(21)130-150(80,81)82)121-19-12(5-107-141(53,54)55)113-39(32(134-154(92,93)94)26(19)128-148(74,75)76)119-17-10(3-105-139(47,48)49)111-37(117-15)30(132-152(86,87)88)24(17)126-146(68,69)70/h8-43H,1-7H2,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyHUFSIONDFZIZQY-FWYGNWHCSA-N
MW2736.27 g/mol
LogP-18.69
Rot. Bonds47

About [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate

[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate (PubChem CID 91852270) has the molecular formula C42H70O95S20 and a molecular weight of 2736.27 g/mol. Its IUPAC name is [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate.

Molecular Properties

Compound Name[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate
PubChem CID91852270
Molecular FormulaC42H70O95S20
Molecular Weight2736.27 g/mol
Exact Mass2733.51
IUPAC Name[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate
SMILESO=S(=O)(O)OC[C@H]1O[C@@H]2O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]1[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)O[C@@H]8CO)O[C@@H]7COS(=O)(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@@H]5COS(=O)(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3COS(=O)(=O)O
InChIInChI=1S/C42H70O95S20/c43-1-8-15-22(124-144(62,63)64)29(131-151(83,84)85)36(110-8)118-16-9(2-104-138(44,45)46)112-38(31(133-153(89,90)91)23(16)125-145(65,66)67)120-18-11(4-106-140(50,51)52)114-40(33(135-155(95,96)97)25(18)127-147(71,72)73)122-20-13(6-108-142(56,57)58)116-42(35(137-157(101,102)103)27(20)129-149(77,78)79)123-21-14(7-109-143(59,60)61)115-41(34(136-156(98,99)100)28(21)130-150(80,81)82)121-19-12(5-107-141(53,54)55)113-39(32(134-154(92,93)94)26(19)128-148(74,75)76)119-17-10(3-105-139(47,48)49)111-37(117-15)30(132-152(86,87)88)24(17)126-146(68,69)70/h8-43H,1-7H2,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyHUFSIONDFZIZQY-FWYGNWHCSA-N
XLogP-18.69
TPSA1421.45 Ų
H-Bond Donors21
H-Bond Acceptors75
Rotatable Bonds47
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002736.27
LogP ≤ 5-18.69
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1075

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate with MolForge

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Related Compounds

sodium [36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-10,15,20,25,30,35-hexakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate
CID 54602008
[31,33,40-trihydroxy-5,10,15,20,25,30-hexakis(hydroxymethyl)-34,35,36,37,38,39,41,42-octasulfooxy-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-32-yl] hydrogen sulfate
CID 4231155
[(2S,3S,4S,5R,6R)-2-hydroxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
CID 90728283
[2-hydroxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
CID 22325996
[(2S,3R,4R,5S,6R)-3,6-dihydroxy-4,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate
CID 21158814
[(1R,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,34S,36R,37R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R)-39,40,41,42,43,44,45,46,47,48,49,50-dodecahydroxy-5,10,15,25,30,37-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,35,38-pentadecaoxanonacyclo[31.3.2.23,6.28,11.213,16.218,21.223,26.228,31.034,36]pentacontan-20-yl]methyl methanesulfonate
CID 135488984
[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
CID 6602356
[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl trifluoromethanesulfonate
CID 10996872
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,38R,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,55S,56R)-40-(hydroxymethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecamethoxy-5,10,15,20,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-25-yl]methanol
CID 10441604
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,38R,40R,41S,42R,43S,44R,45S,46R,47R,48S,49S,50S,51S,52R,53R,54S,55S,56R)-40-(hydroxymethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecamethoxy-5,10,15,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-20-yl]methanol
CID 15966972
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methanol
CID 10749018
[(2R,3S,4R,5S)-2,5-bis(sulfooxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxolan-3-yl] hydrogen sulfate
CID 87746469

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate?
The IUPAC name of [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate (CID 91852270) is [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate.
What is the SMILES notation for [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate?
The canonical SMILES for [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate is O=S(=O)(O)OC[C@H]1O[C@@H]2O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]1[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)O[C@@H]8CO)O[C@@H]7COS(=O)(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@@H]5COS(=O)(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3COS(=O)(=O)O.
What is the InChIKey of [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate?
The InChIKey is HUFSIONDFZIZQY-FWYGNWHCSA-N. The full InChI is InChI=1S/C42H70O95S20/c43-1-8-15-22(124-144(62,63)64)29(131-151(83,84)85)36(110-8)118-16-9(2-104-138(44,45)46)112-38(31(133-153(89,90)91)23(16)125-145(65,66)67)120-18-11(4-106-140(50,51)52)114-40(33(135-155(95,96)97)25(18)127-147(71,72)73)122-20-13(6-108-142(56,57)58)116-42(35(137-157(101,102)103)27(20)129-149(77,78)79)123-21-14(7-109-143(59,60)61)115-41(34(136-156(98,99)100)28(21)130-150(80,81)82)121-19-12(5-107-141(53,54)55)113-39(32(134-154(92,93)94)26(19)128-148(74,75)76)119-17-10(3-105-139(47,48)49)111-37(117-15)30(132-152(86,87)88)24(17)126-146(68,69)70/h8-43H,1-7H2,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1.
What are the key properties of [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate?
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate has a molecular weight of 2736.27 g/mol, XLogP of -18.69, 47 rotatable bonds, 21 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10-(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-15,20,25,30,35-pentakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl hydrogen sulfate is sourced from PubChem (CID 91852270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).