tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate

C53H93N4Na13O67S9 — CID 160790561

IUPACtridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate
SMILESCC(=O)NC1C(O)CC(COS(=O)(=O)[O-])OC1C.CC1OC(COS(=O)(=O)[O-])CC(O)C1NS(=O)(=O)[O-].COC1C(C(=O)[O-])OCC(O)C1O.O.O.O.O.O=C([O-])C1=CC(O)C(OS(=O)(=O)[O-])CO1.O=C[O-].O=C[O-].O=S(=O)([O-])NC1C(O)CC(COS(=O)(=O)[O-])OC1OC1COCC(O)C1O.O=S(=O)([O-])NC1C(O)CC(COS(=O)(=O)[O-])OC1OC1COCC(OS(=O)(=O)[O-])C1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C11H21NO16S3.C11H21NO13S2.C9H17NO7S.C7H15NO9S2.C7H12O6.C6H8O8S.2CH2O2.13Na.4H2O/c13-6-1-5(2-25-30(18,19)20)26-11(9(6)12-29(15,16)17)27-7-3-24-4-8(10(7)14)28-31(21,22)23;13-6-1-5(2-23-27(19,20)21)24-11(9(6)12-26(16,17)18)25-8-4-22-3-7(14)10(8)15;1-5-9(10-6(2)11)8(12)3-7(17-5)4-16-18(13,14)15;1-4-7(8-18(10,11)12)6(9)2-5(17-4)3-16-19(13,14)15;1-12-5-4(9)3(8)2-13-6(5)7(10)11;7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12;2*2-1-3;;;;;;;;;;;;;;;;;/h5-14H,1-4H2,(H,15,16,17)(H,18,19,20)(H,21,22,23);5-15H,1-4H2,(H,16,17,18)(H,19,20,21);5,7-9,12H,3-4H2,1-2H3,(H,10,11)(H,13,14,15);4-9H,2-3H2,1H3,(H,10,11,12)(H,13,14,15);3-6,8-9H,2H2,1H3,(H,10,11);1,3,5,7H,2H2,(H,8,9)(H,10,11,12);2*1H,(H,2,3);;;;;;;;;;;;;;4*1H2/q;;;;;;;;13*+1;;;;/p-13
InChIKeyRFGPBAOPLLZNDE-UHFFFAOYSA-A
MW2445.76 g/mol
LogP-65.39
Rot. Bonds30

About tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate

tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate (PubChem CID 160790561) has the molecular formula C53H93N4Na13O67S9 and a molecular weight of 2445.76 g/mol. Its IUPAC name is tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate.

Molecular Properties

Compound Nametridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate
PubChem CID160790561
Molecular FormulaC53H93N4Na13O67S9
Molecular Weight2445.76 g/mol
Exact Mass2444.01
IUPAC Nametridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate
SMILESCC(=O)NC1C(O)CC(COS(=O)(=O)[O-])OC1C.CC1OC(COS(=O)(=O)[O-])CC(O)C1NS(=O)(=O)[O-].COC1C(C(=O)[O-])OCC(O)C1O.O.O.O.O.O=C([O-])C1=CC(O)C(OS(=O)(=O)[O-])CO1.O=C[O-].O=C[O-].O=S(=O)([O-])NC1C(O)CC(COS(=O)(=O)[O-])OC1OC1COCC(O)C1O.O=S(=O)([O-])NC1C(O)CC(COS(=O)(=O)[O-])OC1OC1COCC(OS(=O)(=O)[O-])C1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C11H21NO16S3.C11H21NO13S2.C9H17NO7S.C7H15NO9S2.C7H12O6.C6H8O8S.2CH2O2.13Na.4H2O/c13-6-1-5(2-25-30(18,19)20)26-11(9(6)12-29(15,16)17)27-7-3-24-4-8(10(7)14)28-31(21,22)23;13-6-1-5(2-23-27(19,20)21)24-11(9(6)12-26(16,17)18)25-8-4-22-3-7(14)10(8)15;1-5-9(10-6(2)11)8(12)3-7(17-5)4-16-18(13,14)15;1-4-7(8-18(10,11)12)6(9)2-5(17-4)3-16-19(13,14)15;1-12-5-4(9)3(8)2-13-6(5)7(10)11;7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12;2*2-1-3;;;;;;;;;;;;;;;;;/h5-14H,1-4H2,(H,15,16,17)(H,18,19,20)(H,21,22,23);5-15H,1-4H2,(H,16,17,18)(H,19,20,21);5,7-9,12H,3-4H2,1-2H3,(H,10,11)(H,13,14,15);4-9H,2-3H2,1H3,(H,10,11,12)(H,13,14,15);3-6,8-9H,2H2,1H3,(H,10,11);1,3,5,7H,2H2,(H,8,9)(H,10,11,12);2*1H,(H,2,3);;;;;;;;;;;;;;4*1H2/q;;;;;;;;13*+1;;;;/p-13
InChIKeyRFGPBAOPLLZNDE-UHFFFAOYSA-A
XLogP-65.39
TPSA1225.72 Ų
H-Bond Donors14
H-Bond Acceptors63
Rotatable Bonds30
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002445.76
LogP ≤ 5-65.39
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

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

Analyze tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate 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

nonacosasodium;(4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate;tetrakis((4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate);bis(N-[(4R)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);(4R)-2,4-dihydroxy-6-(hydroxymethyl)-3-(sulfinatoamino)oxane;(3R,4R)-4,6-dihydroxy-3-[(2S,4R)-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxyoxane-2-carboxylate;(4R)-2,4-dihydroxy-3-(sulfinatoamino)-6-(sulfonatooxymethyl)oxane;tetrakis(N-[(3R,5R)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]sulfamate);(3R,4R)-4-hydroxy-3-[(2S,4R)-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxyoxane-2-carboxylate;tetrakis((4R)-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate);decahydrate
CID 160698709
tetrasodium;(3S,4R,6R)-4,6-dihydroxy-3-[(2R,4R)-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxyoxane-2-carboxylate
CID 140513422
[(5S,6R)-4-hydroxy-6-methoxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate
CID 91258011
hexasodium;(2R,3R,4S)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4R,5R,6R)-2-carboxylato-4,5-dihydroxy-6-[(2R,3R,4R,5R)-6-hydroxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 11998280
(2R,3R,4S)-2-[(2R,4R,5R,6R)-5-acetamido-6-[(2S,4R,5R,6R)-2-carboxylato-4,5-dihydroxy-6-[(2R,4R,5R)-6-hydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)-4-sulfonatooxyoxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 140671871
tridecasodium;(2R,3R,4S)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4R,5R,6R)-2-carboxylato-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[[(1R,2S,3R,4R,5S)-3-hydroxy-4-(sulfonatoamino)-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-2-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 52943458
(2R,3R,4S)-2-[(2R,4R,5R,6R)-6-[(2R,4S,5R)-2-carboxylato-4,6-dihydroxy-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 140671869
octaazanium;2-[6-[2-carboxylato-6-[4,6-dihydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 172642697
(2S,3S,4R,5S,6S)-6-[(2R,3R,4R,5S,6S)-6-[(2R,3R,4R,5S,6S)-2-carboxylato-6-[(2R,3S,4R,5R,6R)-4,6-dimethoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,3S,4S,5R,6S)-4,5-dimethoxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate
CID 91930356
trisodium;[5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-4-yl] sulfate
CID 140603537
heptadecasodium;(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfonatooxyoxane-2-carboxylate
CID 52918468
(2R,3R,5R)-5-[(2R,4R,5R)-3-acetamido-5-hydroxy-2-methoxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-2-methoxycyclohexane-1-carboxylate
CID 90992439

Frequently Asked Questions

What is the IUPAC name of tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate?
The IUPAC name of tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate (CID 160790561) is tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate.
What is the SMILES notation for tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate?
The canonical SMILES for tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate is CC(=O)NC1C(O)CC(COS(=O)(=O)[O-])OC1C.CC1OC(COS(=O)(=O)[O-])CC(O)C1NS(=O)(=O)[O-].COC1C(C(=O)[O-])OCC(O)C1O.O.O.O.O.O=C([O-])C1=CC(O)C(OS(=O)(=O)[O-])CO1.O=C[O-].O=C[O-].O=S(=O)([O-])NC1C(O)CC(COS(=O)(=O)[O-])OC1OC1COCC(O)C1O.O=S(=O)([O-])NC1C(O)CC(COS(=O)(=O)[O-])OC1OC1COCC(OS(=O)(=O)[O-])C1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate?
The InChIKey is RFGPBAOPLLZNDE-UHFFFAOYSA-A. The full InChI is InChI=1S/C11H21NO16S3.C11H21NO13S2.C9H17NO7S.C7H15NO9S2.C7H12O6.C6H8O8S.2CH2O2.13Na.4H2O/c13-6-1-5(2-25-30(18,19)20)26-11(9(6)12-29(15,16)17)27-7-3-24-4-8(10(7)14)28-31(21,22)23;13-6-1-5(2-23-27(19,20)21)24-11(9(6)12-26(16,17)18)25-8-4-22-3-7(14)10(8)15;1-5-9(10-6(2)11)8(12)3-7(17-5)4-16-18(13,14)15;1-4-7(8-18(10,11)12)6(9)2-5(17-4)3-16-19(13,14)15;1-12-5-4(9)3(8)2-13-6(5)7(10)11;7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12;2*2-1-3;;;;;;;;;;;;;;;;;/h5-14H,1-4H2,(H,15,16,17)(H,18,19,20)(H,21,22,23);5-15H,1-4H2,(H,16,17,18)(H,19,20,21);5,7-9,12H,3-4H2,1-2H3,(H,10,11)(H,13,14,15);4-9H,2-3H2,1H3,(H,10,11,12)(H,13,14,15);3-6,8-9H,2H2,1H3,(H,10,11);1,3,5,7H,2H2,(H,8,9)(H,10,11,12);2*1H,(H,2,3);;;;;;;;;;;;;;4*1H2/q;;;;;;;;13*+1;;;;/p-13.
What are the key properties of tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate?
tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate has a molecular weight of 2445.76 g/mol, XLogP of -65.39, 30 rotatable bonds, 14 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for tridecasodium;(5-acetamido-4-hydroxy-6-methyloxan-2-yl)methyl sulfate;4,5-dihydroxy-3-methoxyoxane-2-carboxylate;[6-(4,5-dihydroxyoxan-3-yl)oxy-4-hydroxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;[4-hydroxy-5-[4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate;[4-hydroxy-6-methyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate;4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;diformate;tetrahydrate is sourced from PubChem (CID 160790561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).