(2S,3S,4R,5R)-N-(4-((1S,2S,3S,5R,6R)-3,5-Diazido-2-((2S,3R,4R,5S,6R)-3-azido-6-(azidomethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yloxy)-6-hydroxycyclohexylamino)butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin

CAS

948916-18-5

Catalog Number

ACM948916185

Category

Other Products

MSDS COA Spec Sheet

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What is the molecular formula of the compound with the given PubChem CID?

The molecular formula is C25H36N16O11.

What is the IUPAC name of the compound?

The IUPAC name is (2S,3S,4R,5R)-N-[4-[[(1S,2S,3S,5R,6R)-3,5-diazido-2-[(2S,3R,4R,5S,6R)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]amino]butyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.

What is the molecular weight of the compound?

The molecular weight is 736.7 g/mol.

What is the InChI code of the compound?

The InChI code is InChI=1S/C25H36N16O11/c26-37-32-8-11-16(44)17(45)14(36-40-29)24(50-11)52-20-10(35-39-28)7-9(34-38-27)15(43)13(20)30-4-1-2-5-31-22(48)21-18(46)19(47)23(51-21)41-6-3-12(42)33-25(41)49/h3,6,9-11,13-21,23-24,30,43-47H,1-2,4-5,7-8H2,(H,31,48)(H,33,42,49)/t9-,10+,11-,13+,14-,15+,16-,17-,18+,19-,20-,21+,23-,24-/m1/s1.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1C(C(C(C(C1N=[N+]=[N-])OC2C(C(C(C(O2)CN=[N+]=[N-])O)O)N=[N+]=[N-])NCCCCNC(=O)C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)N=[N+]=[N-].

How many hydrogen bond donor counts does the compound have?

The compound has 8 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 20 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 15 rotatable bond counts.

What is the exact mass of the compound?

The exact mass is 736.27494603 g/mol.

How many heavy atoms does the compound contain?

The compound contains 52 heavy atoms.