(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C40H70N2O27P2 — CID 159759779

IUPAC(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)NC1[C@H](OC2[C@@H](OP(C)P)OC(CO[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@]5(C(=O)O)C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)[C@@H](O)[C@@H]2O)OC(CO)[C@@H](C)[C@@H]1O
InChIInChI=1S/C40H70N2O27P2/c1-12-16(48)6-40(39(58)59,68-32(12)25(51)17(49)7-43)61-11-21-26(52)29(55)31(57)37(64-21)66-33-19(9-45)63-35(23(28(33)54)42-15(4)47)60-10-20-27(53)30(56)34(38(65-20)69-71(5)70)67-36-22(41-14(3)46)24(50)13(2)18(8-44)62-36/h12-13,16-38,43-45,48-57H,6-11,70H2,1-5H3,(H,41,46)(H,42,47)(H,58,59)/t12-,13-,16-,17-,18?,19?,20?,21?,22?,23?,24+,25-,26+,27-,28-,29+,30+,31?,32?,33-,34?,35-,36+,37+,38-,40-,71?/m1/s1
InChIKeyNESNOIYBMRBBRT-KDGZYTPSSA-N
MW1072.93 g/mol
LogP-8.04
Rot. Bonds20

About (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 159759779) has the molecular formula C40H70N2O27P2 and a molecular weight of 1072.93 g/mol. Its IUPAC name is (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID159759779
Molecular FormulaC40H70N2O27P2
Molecular Weight1072.93 g/mol
Exact Mass1072.36
IUPAC Name(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)NC1[C@H](OC2[C@@H](OP(C)P)OC(CO[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@]5(C(=O)O)C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)[C@@H](O)[C@@H]2O)OC(CO)[C@@H](C)[C@@H]1O
InChIInChI=1S/C40H70N2O27P2/c1-12-16(48)6-40(39(58)59,68-32(12)25(51)17(49)7-43)61-11-21-26(52)29(55)31(57)37(64-21)66-33-19(9-45)63-35(23(28(33)54)42-15(4)47)60-10-20-27(53)30(56)34(38(65-20)69-71(5)70)67-36-22(41-14(3)46)24(50)13(2)18(8-44)62-36/h12-13,16-38,43-45,48-57H,6-11,70H2,1-5H3,(H,41,46)(H,42,47)(H,58,59)/t12-,13-,16-,17-,18?,19?,20?,21?,22?,23?,24+,25-,26+,27-,28-,29+,30+,31?,32?,33-,34?,35-,36+,37+,38-,40-,71?/m1/s1
InChIKeyNESNOIYBMRBBRT-KDGZYTPSSA-N
XLogP-8.04
TPSA450.79 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001072.93
LogP ≤ 5-8.04
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid 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

(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4S,6R)-5-[(2S,4R,5S)-3-acetamido-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 161490449
2-[[6-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 122463662
(2R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(2R,5S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6R)-5-acetamido-6-(2-aminoethoxy)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5R)-3,5-dihydroxy-4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 160950317
(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(2R,5S,6S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6R)-5-acetamido-6-(2-aminoethoxy)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5R)-3,5-dihydroxy-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 159392834
(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(2R,5S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6R)-5-acetamido-6-(2-aminoethoxy)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 161497608
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3S,4S,5S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-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 91846985
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-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 156618344
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-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 91847652
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3S,4S,5R,6S)-4-[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-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 91846730
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-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 177459303
(5R,6R)-2-[(2S,4S,5S)-2-[(3S,4R,6R)-5-acetamido-2-[[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-ethoxy-4-hydroxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane
CID 160930737
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 71298332

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 159759779) is (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC(=O)NC1[C@H](OC2[C@@H](OP(C)P)OC(CO[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@]5(C(=O)O)C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)[C@@H](O)[C@@H]2O)OC(CO)[C@@H](C)[C@@H]1O.
What is the InChIKey of (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is NESNOIYBMRBBRT-KDGZYTPSSA-N. The full InChI is InChI=1S/C40H70N2O27P2/c1-12-16(48)6-40(39(58)59,68-32(12)25(51)17(49)7-43)61-11-21-26(52)29(55)31(57)37(64-21)66-33-19(9-45)63-35(23(28(33)54)42-15(4)47)60-10-20-27(53)30(56)34(38(65-20)69-71(5)70)67-36-22(41-14(3)46)24(50)13(2)18(8-44)62-36/h12-13,16-38,43-45,48-57H,6-11,70H2,1-5H3,(H,41,46)(H,42,47)(H,58,59)/t12-,13-,16-,17-,18?,19?,20?,21?,22?,23?,24+,25-,26+,27-,28-,29+,30+,31?,32?,33-,34?,35-,36+,37+,38-,40-,71?/m1/s1.
What are the key properties of (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 1072.93 g/mol, XLogP of -8.04, 20 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-5-[(2S,4S,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,4-dihydroxy-6-[methyl(phosphanyl)phosphanyl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 159759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).