(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid

C61H111N4O51P — CID 91861609

IUPAC(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
SMILESNCCOP(=O)(O)OC[C@H](O)[C@H]1O[C@H](O[C@H]2[C@@H]([C@H](O)CO)O[C@@](OC[C@H]3O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)CO)[C@H](N)[C@@H](O)[C@@H]3O)(C(=O)O)C[C@H]2O)[C@@H](O)[C@@H](O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H]([C@H](O)CO[C@@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O
InChIInChI=1S/C61H111N4O51P/c62-1-2-102-117(97,98)103-12-20(77)46-42(93)50(43(94)57(108-46)111-47-15(72)3-61(60(95)96,116-48(47)17(74)6-68)101-13-24-31(82)32(83)25(64)53(107-24)99-10-18(75)28(79)27(78)14(63)4-66)113-58-52(37(88)35(86)44(109-58)16(73)5-67)115-59-51(114-54-26(65)33(84)29(80)21(7-69)104-54)38(89)36(87)45(110-59)19(76)11-100-55-41(92)39(90)49(23(9-71)106-55)112-56-40(91)34(85)30(81)22(8-70)105-56/h14-59,66-94H,1-13,62-65H2,(H,95,96)(H,97,98)/t14-,15+,16-,17+,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+,61+/m0/s1
InChIKeyRBULKFBJJVCXIW-PCJGMRCLSA-N
MW1747.51 g/mol
LogP-23.07
Rot. Bonds39

About (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid

(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid (PubChem CID 91861609) has the molecular formula C61H111N4O51P and a molecular weight of 1747.51 g/mol. Its IUPAC name is (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
PubChem CID91861609
Molecular FormulaC61H111N4O51P
Molecular Weight1747.51 g/mol
Exact Mass1746.60
IUPAC Name(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
SMILESNCCOP(=O)(O)OC[C@H](O)[C@H]1O[C@H](O[C@H]2[C@@H]([C@H](O)CO)O[C@@](OC[C@H]3O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)CO)[C@H](N)[C@@H](O)[C@@H]3O)(C(=O)O)C[C@H]2O)[C@@H](O)[C@@H](O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H]([C@H](O)CO[C@@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O
InChIInChI=1S/C61H111N4O51P/c62-1-2-102-117(97,98)103-12-20(77)46-42(93)50(43(94)57(108-46)111-47-15(72)3-61(60(95)96,116-48(47)17(74)6-68)101-13-24-31(82)32(83)25(64)53(107-24)99-10-18(75)28(79)27(78)14(63)4-66)113-58-52(37(88)35(86)44(109-58)16(73)5-67)115-59-51(114-54-26(65)33(84)29(80)21(7-69)104-54)38(89)36(87)45(110-59)19(76)11-100-55-41(92)39(90)49(23(9-71)106-55)112-56-40(91)34(85)30(81)22(8-70)105-56/h14-59,66-94H,1-13,62-65H2,(H,95,96)(H,97,98)/t14-,15+,16-,17+,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+,61+/m0/s1
InChIKeyRBULKFBJJVCXIW-PCJGMRCLSA-N
XLogP-23.07
TPSA931.49 Ų
H-Bond Donors35
H-Bond Acceptors53
Rotatable Bonds39
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001747.51
LogP ≤ 5-23.07
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid?
The IUPAC name of (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid (CID 91861609) is (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid is NCCOP(=O)(O)OC[C@H](O)[C@H]1O[C@H](O[C@H]2[C@@H]([C@H](O)CO)O[C@@](OC[C@H]3O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)CO)[C@H](N)[C@@H](O)[C@@H]3O)(C(=O)O)C[C@H]2O)[C@@H](O)[C@@H](O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H]([C@H](O)CO[C@@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O.
What is the InChIKey of (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid?
The InChIKey is RBULKFBJJVCXIW-PCJGMRCLSA-N. The full InChI is InChI=1S/C61H111N4O51P/c62-1-2-102-117(97,98)103-12-20(77)46-42(93)50(43(94)57(108-46)111-47-15(72)3-61(60(95)96,116-48(47)17(74)6-68)101-13-24-31(82)32(83)25(64)53(107-24)99-10-18(75)28(79)27(78)14(63)4-66)113-58-52(37(88)35(86)44(109-58)16(73)5-67)115-59-51(114-54-26(65)33(84)29(80)21(7-69)104-54)38(89)36(87)45(110-59)19(76)11-100-55-41(92)39(90)49(23(9-71)106-55)112-56-40(91)34(85)30(81)22(8-70)105-56/h14-59,66-94H,1-13,62-65H2,(H,95,96)(H,97,98)/t14-,15+,16-,17+,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+,61+/m0/s1.
What are the key properties of (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid?
(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid has a molecular weight of 1747.51 g/mol, XLogP of -23.07, 39 rotatable bonds, 35 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 91861609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).