(2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol

C20H39N3O15 — CID 141172349

IUPAC(2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESNC1C(O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)C(O[C@@H]3O[C@@](CO)(C(O)CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)C2N)C1O
InChIInChI=1S/C20H39N3O15/c21-8-11(29)14(5(1-24)34-17(8)33)36-18-9(22)12(30)15(6(2-25)35-18)37-19-10(23)13(31)16(32)20(4-27,38-19)7(28)3-26/h5-19,24-33H,1-4,21-23H2/t5-,6-,7?,8?,9?,10-,11?,12-,13-,14?,15?,16+,17?,18+,19-,20+/m1/s1
InChIKeyXLBVZPULEMOHLZ-PAUSUXRISA-N
MW561.54 g/mol
LogP-8.95
Rot. Bonds9

About (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol

(2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 141172349) has the molecular formula C20H39N3O15 and a molecular weight of 561.54 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID141172349
Molecular FormulaC20H39N3O15
Molecular Weight561.54 g/mol
Exact Mass561.24
IUPAC Name(2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESNC1C(O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)C(O[C@@H]3O[C@@](CO)(C(O)CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)C2N)C1O
InChIInChI=1S/C20H39N3O15/c21-8-11(29)14(5(1-24)34-17(8)33)36-18-9(22)12(30)15(6(2-25)35-18)37-19-10(23)13(31)16(32)20(4-27,38-19)7(28)3-26/h5-19,24-33H,1-4,21-23H2/t5-,6-,7?,8?,9?,10-,11?,12-,13-,14?,15?,16+,17?,18+,19-,20+/m1/s1
InChIKeyXLBVZPULEMOHLZ-PAUSUXRISA-N
XLogP-8.95
TPSA326.51 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500561.54
LogP ≤ 5-8.95
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl]propanoic acid;hydrochloride
CID 141364525
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(diethylamino)-2-(hydroxymethyl)oxane-3,4-diol
CID 139800092
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol
CID 141274779
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)oxane-3,4-diol
CID 140540585
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-(2-methylpropoxy)oxane-3,4-diol
CID 140520748
(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3R,4S,5S,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102243342
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91858083
(2S,3S,4R,5R,6S)-5-amino-6-[(2S,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 95048640
(3S,4R,6S)-5-amino-6-[(3S,4R,6S)-5-amino-6-[(3S,4R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 66809975
(3S,5S,6S)-5-amino-6-[(3S,6S)-5-amino-6-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 163940061
(3S,4S,6S)-5-amino-6-[(3S,4S,6S)-5-amino-6-[(3S,4S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 121391399
5-amino-6-[5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methane
CID 172874991

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol (CID 141172349) is (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol is NC1C(O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)C(O[C@@H]3O[C@@](CO)(C(O)CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)C2N)C1O.
What is the InChIKey of (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is XLBVZPULEMOHLZ-PAUSUXRISA-N. The full InChI is InChI=1S/C20H39N3O15/c21-8-11(29)14(5(1-24)34-17(8)33)36-18-9(22)12(30)15(6(2-25)35-18)37-19-10(23)13(31)16(32)20(4-27,38-19)7(28)3-26/h5-19,24-33H,1-4,21-23H2/t5-,6-,7?,8?,9?,10-,11?,12-,13-,14?,15?,16+,17?,18+,19-,20+/m1/s1.
What are the key properties of (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?
(2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 561.54 g/mol, XLogP of -8.95, 9 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6R)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 141172349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).