[(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid

C19H38N6O10 — CID 162957027

IUPAC[(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid
SMILESNC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@@H](CNC(=O)O)[C@H](O)[C@@H](N)[C@@H]3O)[C@H](N)C[C@@H]2N)[C@@H](N)C[C@H]1O
InChIInChI=1S/C19H38N6O10/c20-3-9-8(26)2-7(23)17(32-9)34-15-5(21)1-6(22)16(14(15)29)35-18-13(28)11(24)12(27)10(33-18)4-25-19(30)31/h5-18,25-29H,1-4,20-24H2,(H,30,31)/t5-,6+,7-,8+,9-,10-,11+,12-,13-,14-,15+,16-,17+,18+/m0/s1
InChIKeyXJXDWLNIJTVFKI-JPUSONHISA-N
MW510.55 g/mol
LogP-6.02
Rot. Bonds7

About [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid

[(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid (PubChem CID 162957027) has the molecular formula C19H38N6O10 and a molecular weight of 510.55 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid
PubChem CID162957027
Molecular FormulaC19H38N6O10
Molecular Weight510.55 g/mol
Exact Mass510.26
IUPAC Name[(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid
SMILESNC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@@H](CNC(=O)O)[C@H](O)[C@@H](N)[C@@H]3O)[C@H](N)C[C@@H]2N)[C@@H](N)C[C@H]1O
InChIInChI=1S/C19H38N6O10/c20-3-9-8(26)2-7(23)17(32-9)34-15-5(21)1-6(22)16(14(15)29)35-18-13(28)11(24)12(27)10(33-18)4-25-19(30)31/h5-18,25-29H,1-4,20-24H2,(H,30,31)/t5-,6+,7-,8+,9-,10-,11+,12-,13-,14-,15+,16-,17+,18+/m0/s1
InChIKeyXJXDWLNIJTVFKI-JPUSONHISA-N
XLogP-6.02
TPSA297.27 Ų
H-Bond Donors11
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 5-6.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1014

Analyze [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid?
The IUPAC name of [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid (CID 162957027) is [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid.
What is the SMILES notation for [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid?
The canonical SMILES for [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid is NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@@H](CNC(=O)O)[C@H](O)[C@@H](N)[C@@H]3O)[C@H](N)C[C@@H]2N)[C@@H](N)C[C@H]1O.
What is the InChIKey of [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid?
The InChIKey is XJXDWLNIJTVFKI-JPUSONHISA-N. The full InChI is InChI=1S/C19H38N6O10/c20-3-9-8(26)2-7(23)17(32-9)34-15-5(21)1-6(22)16(14(15)29)35-18-13(28)11(24)12(27)10(33-18)4-25-19(30)31/h5-18,25-29H,1-4,20-24H2,(H,30,31)/t5-,6+,7-,8+,9-,10-,11+,12-,13-,14-,15+,16-,17+,18+/m0/s1.
What are the key properties of [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid?
[(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid has a molecular weight of 510.55 g/mol, XLogP of -6.02, 7 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S,6R)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3S,5R,6S)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methylcarbamic acid is sourced from PubChem (CID 162957027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).