(4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate

C55H87N3O35 — CID 89109816

IUPAC(4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate
SMILESCC(=O)NC1C(O[C@@H]2OC(CO)[C@H](O)C(O)C2O[C@@H]2OC(C)C(O)C(O)[C@@H]2O)[C@@H](O)C(CO)O[C@H]1OC1C(O)[C@@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](OCCCCCNC(=O)CCCCC(=O)Oc4ccc([N+](=O)[O-])cc4)C(O)C3O)C(O)C2O)OC(CO)[C@@H]1O
InChIInChI=1S/C55H87N3O35/c1-21-33(67)37(71)41(75)52(82-21)93-49-38(72)34(68)25(16-59)86-55(49)91-47-32(57-22(2)64)50(84-26(17-60)35(47)69)92-48-36(70)27(18-61)85-54(44(48)78)90-46-29(20-63)88-53(43(77)40(46)74)89-45-28(19-62)87-51(42(76)39(45)73)81-15-7-3-6-14-56-30(65)8-4-5-9-31(66)83-24-12-10-23(11-13-24)58(79)80/h10-13,21,25-29,32-55,59-63,67-78H,3-9,14-20H2,1-2H3,(H,56,65)(H,57,64)/t21?,25?,26?,27?,28?,29?,32?,33?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,44?,45+,46-,47?,48?,49?,50-,51+,52-,53-,54+,55-/m0/s1
InChIKeyLAJAGMKRDJXQRT-GLAPLKJYSA-N
MW1350.29 g/mol
LogP-9.54
Rot. Bonds30

About (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate

(4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate (PubChem CID 89109816) has the molecular formula C55H87N3O35 and a molecular weight of 1350.29 g/mol. Its IUPAC name is (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate.

Molecular Properties

Compound Name(4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate
PubChem CID89109816
Molecular FormulaC55H87N3O35
Molecular Weight1350.29 g/mol
Exact Mass1349.51
IUPAC Name(4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate
SMILESCC(=O)NC1C(O[C@@H]2OC(CO)[C@H](O)C(O)C2O[C@@H]2OC(C)C(O)C(O)[C@@H]2O)[C@@H](O)C(CO)O[C@H]1OC1C(O)[C@@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](OCCCCCNC(=O)CCCCC(=O)Oc4ccc([N+](=O)[O-])cc4)C(O)C3O)C(O)C2O)OC(CO)[C@@H]1O
InChIInChI=1S/C55H87N3O35/c1-21-33(67)37(71)41(75)52(82-21)93-49-38(72)34(68)25(16-59)86-55(49)91-47-32(57-22(2)64)50(84-26(17-60)35(47)69)92-48-36(70)27(18-61)85-54(44(48)78)90-46-29(20-63)88-53(43(77)40(46)74)89-45-28(19-62)87-51(42(76)39(45)73)81-15-7-3-6-14-56-30(65)8-4-5-9-31(66)83-24-12-10-23(11-13-24)58(79)80/h10-13,21,25-29,32-55,59-63,67-78H,3-9,14-20H2,1-2H3,(H,56,65)(H,57,64)/t21?,25?,26?,27?,28?,29?,32?,33?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,44?,45+,46-,47?,48?,49?,50-,51+,52-,53-,54+,55-/m0/s1
InChIKeyLAJAGMKRDJXQRT-GLAPLKJYSA-N
XLogP-9.54
TPSA582.31 Ų
H-Bond Donors19
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.29
LogP ≤ 5-9.54
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate 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

(4-nitrophenyl) 6-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate
CID 88908364
(3S,4S,6S)-6-[[(3S,4S,6R)-6-[(2S,4S,5S)-2-[(2R,4S,5S)-2-(5-aminopentoxy)-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(4-nitrophenyl) hexanedioate;(3S,4S,6S)-6-[[(3S,4S,6R)-6-[(2S,4S,5S)-4-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(3S,4S,6R)-3,5-dihydroxy-2-methyl-6-[5-(6-oxoheptanoylamino)pentoxy]oxan-4-yl]oxy-5-hydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 159800264
methyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxynonanoate
CID 101449087
N-[3-[5-[4-[3-acetamido-5-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]pentanamide
CID 21339764
N-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 98047019
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[4-(4-nitrophenyl)butoxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 11005640
N'-[3-[(3R)-4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxypropyl]hexanediamide
CID 130402317
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 146015970
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 176512472
N-[5-[4-[3-acetamido-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 172642742
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 91848556
N-[(2S,5R)-2-[(3S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 54198093

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate?
The IUPAC name of (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate (CID 89109816) is (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate.
What is the SMILES notation for (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate?
The canonical SMILES for (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate is CC(=O)NC1C(O[C@@H]2OC(CO)[C@H](O)C(O)C2O[C@@H]2OC(C)C(O)C(O)[C@@H]2O)[C@@H](O)C(CO)O[C@H]1OC1C(O)[C@@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](OCCCCCNC(=O)CCCCC(=O)Oc4ccc([N+](=O)[O-])cc4)C(O)C3O)C(O)C2O)OC(CO)[C@@H]1O.
What is the InChIKey of (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate?
The InChIKey is LAJAGMKRDJXQRT-GLAPLKJYSA-N. The full InChI is InChI=1S/C55H87N3O35/c1-21-33(67)37(71)41(75)52(82-21)93-49-38(72)34(68)25(16-59)86-55(49)91-47-32(57-22(2)64)50(84-26(17-60)35(47)69)92-48-36(70)27(18-61)85-54(44(48)78)90-46-29(20-63)88-53(43(77)40(46)74)89-45-28(19-62)87-51(42(76)39(45)73)81-15-7-3-6-14-56-30(65)8-4-5-9-31(66)83-24-12-10-23(11-13-24)58(79)80/h10-13,21,25-29,32-55,59-63,67-78H,3-9,14-20H2,1-2H3,(H,56,65)(H,57,64)/t21?,25?,26?,27?,28?,29?,32?,33?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,44?,45+,46-,47?,48?,49?,50-,51+,52-,53-,54+,55-/m0/s1.
What are the key properties of (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate?
(4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate has a molecular weight of 1350.29 g/mol, XLogP of -9.54, 30 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 6-[5-[(2R,5S)-5-[(2S,5R)-5-[(2R,5S)-4-[(2S,5R)-3-acetamido-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-6-oxohexanoate is sourced from PubChem (CID 89109816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).