tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate

C23H45N5O10 — CID 70833097

About tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate

tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate (PubChem CID 70833097) has the molecular formula C23H45N5O10 and a molecular weight of 551.64 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate
• PubChem CID: 70833097
• Molecular Formula: C23H45N5O10
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.32
• IUPAC Name: tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)C1O[C@H]1O[C@H](CN)CC[C@H]1N
• InChI: InChI=1S/C23H45N5O10/c1-23(2,3)38-22(33)28-12-6-11(26)18(36-21-16(31)14(27)15(30)13(8-29)35-21)17(32)19(12)37-20-10(25)5-4-9(7-24)34-20/h9-21,29-32H,4-8,24-27H2,1-3H3,(H,28,33)/t9-,10+,11+,12-,13+,14-,15+,16+,17+,18-,19?,20+,21+/m0/s1
• InChIKey: CWYIAEJRWWRPBB-AVLDPGGLSA-N
• XLogP: -3.70
• TPSA: 260.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	-3.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate?

The IUPAC name of tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate (CID 70833097) is tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate?

The canonical SMILES for tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)C1O[C@H]1O[C@H](CN)CC[C@H]1N.

What is the InChIKey of tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate?

The InChIKey is CWYIAEJRWWRPBB-AVLDPGGLSA-N. The full InChI is InChI=1S/C23H45N5O10/c1-23(2,3)38-22(33)28-12-6-11(26)18(36-21-16(31)14(27)15(30)13(8-29)35-21)17(32)19(12)37-20-10(25)5-4-9(7-24)34-20/h9-21,29-32H,4-8,24-27H2,1-3H3,(H,28,33)/t9-,10+,11+,12-,13+,14-,15+,16+,17+,18-,19?,20+,21+/m0/s1.

What are the key properties of tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate?

tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate has a molecular weight of 551.64 g/mol, XLogP of -3.70, 7 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S,3R,4S,5R)-5-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 70833097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).