(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C67H114N3O57P — CID 171125706

IUPAC(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O[C@H]6O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)OCCN)[C@@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6N)[C@H](O)[C@@H](O[C@H]6[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]6O[C@]6(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O6)O[C@@H]5[C@@H](O)CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O
InChIInChI=1S/C67H114N3O57P/c1-16(79)70-30-17(80)4-66(63(102)103,126-51(30)32(88)19(82)7-71)109-15-28-34(90)36(92)39(95)57(114-28)117-48-26(13-77)112-58(40(96)37(48)93)118-49-27(14-78)113-59(41(97)38(49)94)121-54-46(22(85)10-74)116-60(119-50-24(6-65(106,62(100)101)124-47(50)23(86)11-75)123-67(64(104)105)5-18(81)31(87)45(125-67)21(84)9-73)43(99)52(54)120-61-55(122-56-29(69)35(91)33(89)25(12-76)111-56)53(127-128(107,108)110-3-2-68)42(98)44(115-61)20(83)8-72/h17-61,71-78,80-99,106H,2-15,68-69H2,1H3,(H,70,79)(H,100,101)(H,102,103)(H,104,105)(H,107,108)/t17-,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+,43-,44+,45+,46+,47+,48-,49+,50+,51+,52+,53-,54+,55-,56+,57+,58-,59-,60+,61+,65+,66+,67+/m0/s1
InChIKeyGMLVJUOJERIOBH-KGOBHTMVSA-N
MW1904.59 g/mol
LogP-22.80
Rot. Bonds40

About (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 171125706) has the molecular formula C67H114N3O57P and a molecular weight of 1904.59 g/mol. Its IUPAC name is (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID171125706
Molecular FormulaC67H114N3O57P
Molecular Weight1904.59 g/mol
Exact Mass1903.59
IUPAC Name(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O[C@H]6O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)OCCN)[C@@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6N)[C@H](O)[C@@H](O[C@H]6[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]6O[C@]6(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O6)O[C@@H]5[C@@H](O)CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O
InChIInChI=1S/C67H114N3O57P/c1-16(79)70-30-17(80)4-66(63(102)103,126-51(30)32(88)19(82)7-71)109-15-28-34(90)36(92)39(95)57(114-28)117-48-26(13-77)112-58(40(96)37(48)93)118-49-27(14-78)113-59(41(97)38(49)94)121-54-46(22(85)10-74)116-60(119-50-24(6-65(106,62(100)101)124-47(50)23(86)11-75)123-67(64(104)105)5-18(81)31(87)45(125-67)21(84)9-73)43(99)52(54)120-61-55(122-56-29(69)35(91)33(89)25(12-76)111-56)53(127-128(107,108)110-3-2-68)42(98)44(115-61)20(83)8-72/h17-61,71-78,80-99,106H,2-15,68-69H2,1H3,(H,70,79)(H,100,101)(H,102,103)(H,104,105)(H,107,108)/t17-,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+,43-,44+,45+,46+,47+,48-,49+,50+,51+,52+,53-,54+,55-,56+,57+,58-,59-,60+,61+,65+,66+,67+/m0/s1
InChIKeyGMLVJUOJERIOBH-KGOBHTMVSA-N
XLogP-22.80
TPSA992.38 Ų
H-Bond Donors36
H-Bond Acceptors55
Rotatable Bonds40
Heavy Atoms128
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001904.59
LogP ≤ 5-22.80
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 171125706) is (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O[C@H]6O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)OCCN)[C@@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6N)[C@H](O)[C@@H](O[C@H]6[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]6O[C@]6(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O6)O[C@@H]5[C@@H](O)CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O.
What is the InChIKey of (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is GMLVJUOJERIOBH-KGOBHTMVSA-N. The full InChI is InChI=1S/C67H114N3O57P/c1-16(79)70-30-17(80)4-66(63(102)103,126-51(30)32(88)19(82)7-71)109-15-28-34(90)36(92)39(95)57(114-28)117-48-26(13-77)112-58(40(96)37(48)93)118-49-27(14-78)113-59(41(97)38(49)94)121-54-46(22(85)10-74)116-60(119-50-24(6-65(106,62(100)101)124-47(50)23(86)11-75)123-67(64(104)105)5-18(81)31(87)45(125-67)21(84)9-73)43(99)52(54)120-61-55(122-56-29(69)35(91)33(89)25(12-76)111-56)53(127-128(107,108)110-3-2-68)42(98)44(115-61)20(83)8-72/h17-61,71-78,80-99,106H,2-15,68-69H2,1H3,(H,70,79)(H,100,101)(H,102,103)(H,104,105)(H,107,108)/t17-,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+,43-,44+,45+,46+,47+,48-,49+,50+,51+,52+,53-,54+,55-,56+,57+,58-,59-,60+,61+,65+,66+,67+/m0/s1.
What are the key properties of (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 1904.59 g/mol, XLogP of -22.80, 40 rotatable bonds, 36 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5S,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-hydroxyoxan-3-yl]oxy-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 171125706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).