[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate

C36H53O58S9-9 — CID 54758567

IUPAC[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate
SMILESO=S(=O)([O-])OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]6OS(=O)(=O)[O-])O[C@@H]5COS(=O)(=O)[O-])[C@@H]4OS(=O)(=O)[O-])O[C@@H]3COS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C36H62O58S9/c37-1-7-14(41)22(28(31(47)78-7)92-101(66,67)68)86-33-26(90-99(60,61)62)18(45)20(11(82-33)5-76-96(51,52)53)84-36-30(94-103(72,73)74)24(16(43)9(3-39)80-36)88-34-27(91-100(63,64)65)19(46)21(12(83-34)6-77-97(54,55)56)85-35-29(93-102(69,70)71)23(15(42)8(2-38)79-35)87-32-25(89-98(57,58)59)17(44)13(40)10(81-32)4-75-95(48,49)50/h7-47H,1-6H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)/p-9/t7-,8-,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+/m1/s1
InChIKeyXCAVJOBVNSMNME-HOQVOYLOSA-E
MW1702.37 g/mol
LogP-18.74
Rot. Bonds34

About [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate

[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate (PubChem CID 54758567) has the molecular formula C36H53O58S9-9 and a molecular weight of 1702.37 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate
PubChem CID54758567
Molecular FormulaC36H53O58S9-9
Molecular Weight1702.37 g/mol
Exact Mass1700.87
IUPAC Name[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate
SMILESO=S(=O)([O-])OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]6OS(=O)(=O)[O-])O[C@@H]5COS(=O)(=O)[O-])[C@@H]4OS(=O)(=O)[O-])O[C@@H]3COS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C36H62O58S9/c37-1-7-14(41)22(28(31(47)78-7)92-101(66,67)68)86-33-26(90-99(60,61)62)18(45)20(11(82-33)5-76-96(51,52)53)84-36-30(94-103(72,73)74)24(16(43)9(3-39)80-36)88-34-27(91-100(63,64)65)19(46)21(12(83-34)6-77-97(54,55)56)85-35-29(93-102(69,70)71)23(15(42)8(2-38)79-35)87-32-25(89-98(57,58)59)17(44)13(40)10(81-32)4-75-95(48,49)50/h7-47H,1-6H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)/p-9/t7-,8-,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+/m1/s1
InChIKeyXCAVJOBVNSMNME-HOQVOYLOSA-E
XLogP-18.74
TPSA921.93 Ų
H-Bond Donors11
H-Bond Acceptors58
Rotatable Bonds34
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.37
LogP ≤ 5-18.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate with MolForge

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

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Related Compounds

[(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6S)-3,4-dihydroxy-5-(hydroxymethyl)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl sulfate
CID 3084998
disodium;[(2R,3S,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl] sulfate
CID 10430079
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl] hydrogen sulfate
CID 101221166
[(4R,5R)-3,4-dihydroxy-6-[(2S,3S,6R)-4-hydroxy-6-[(4R,5R)-4-hydroxy-6-methoxy-5-methyl-2-(sulfonatooxymethyl)oxan-3-yl]oxy-2-methyl-5-sulfonatooxyoxan-3-yl]oxy-5-methyloxan-2-yl]methyl sulfate
CID 59164960
[(4R,5S)-3,4-dihydroxy-6-[(2S,3S,6S)-4-hydroxy-6-[(4R,5S)-4-hydroxy-6-methoxy-5-methyl-2-(sulfonatooxymethyl)oxan-3-yl]oxy-2-methyl-5-sulfonatooxyoxan-3-yl]oxy-5-methyloxan-2-yl]methyl sulfate
CID 91404218
heptasodium;[(2R,3R,4R,5R)-2,5-bis(sulfonatooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxolan-3-yl] sulfate
CID 11629449
heptapotassium;[(2R,3R,4R,5R)-2,5-bis(sulfonatooxymethyl)-4-[(2S,3R,4S,5R,6S)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxolan-3-yl] sulfate
CID 11549891
[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl sulfate
CID 172638733
octasodium;[(2R,3R,4S,5R,6R)-3,5-disulfonatooxy-2-(sulfonatooxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-4-yl] sulfate
CID 173251098
[(2R,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6R)-3,6-dihydroxy-4,5-disulfooxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl] hydrogen sulfate
CID 163162699
[2-[(3,6-dihydroxy-4,5-disulfooxyoxan-2-yl)methoxy]-5-hydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl] hydrogen sulfate
CID 78382942
[(2R,3S,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methyl sulfate
CID 153279379

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate?
The IUPAC name of [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate (CID 54758567) is [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate is O=S(=O)([O-])OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]6OS(=O)(=O)[O-])O[C@@H]5COS(=O)(=O)[O-])[C@@H]4OS(=O)(=O)[O-])O[C@@H]3COS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate?
The InChIKey is XCAVJOBVNSMNME-HOQVOYLOSA-E. The full InChI is InChI=1S/C36H62O58S9/c37-1-7-14(41)22(28(31(47)78-7)92-101(66,67)68)86-33-26(90-99(60,61)62)18(45)20(11(82-33)5-76-96(51,52)53)84-36-30(94-103(72,73)74)24(16(43)9(3-39)80-36)88-34-27(91-100(63,64)65)19(46)21(12(83-34)6-77-97(54,55)56)85-35-29(93-102(69,70)71)23(15(42)8(2-38)79-35)87-32-25(89-98(57,58)59)17(44)13(40)10(81-32)4-75-95(48,49)50/h7-47H,1-6H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)/p-9/t7-,8-,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+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate?
[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate has a molecular weight of 1702.37 g/mol, XLogP of -18.74, 34 rotatable bonds, 11 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate is sourced from PubChem (CID 54758567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).