Close
4
pipeline-prospector-insert-v1
X

Overview

Client Email Product
CAS 194154-40-0
PharmaCompass
CAS 194154-40-0
Also known as: Cbz-vaganciclovir, Cbz-valganciclovir, 194154-40-0, Schembl14125271, Ctk4e1452, Ks-00000tzo
Molecular Formula
C22H28N6O7
Molecular Weight
488.501  g/mol
InChI Key
UMWCZUCRFYVVAW-LYKKTTPLSA-N

1 2D Structure

CAS 194154-40-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
2.1.2 InChI
InChI=1S/C22H28N6O7/c1-13(2)16(25-22(32)34-9-14-6-4-3-5-7-14)20(31)33-10-15(8-29)35-12-28-11-24-17-18(28)26-21(23)27-19(17)30/h3-7,11,13,15-16,29H,8-10,12H2,1-2H3,(H,25,32)(H3,23,26,27,30)/t15?,16-/m0/s1
2.1.3 InChI Key
UMWCZUCRFYVVAW-LYKKTTPLSA-N
2.1.4 Canonical SMILES
CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3
2.1.5 Isomeric SMILES
CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Cbz-vaganciclovir

2. Cbz-valganciclovir

3. 194154-40-0

4. Schembl14125271

5. Ctk4e1452

6. Ks-00000tzo

7. Dtxsid80453676

8. Molport-006-391-941

9. Molport-028-744-799

10. Akos015896090

11. Akos030241697

12. Ac-23937

13. An-30201

14. Ds-19643

15. Ft-0652306

16. St51053203

17. I06-1706

18. J-012574

19. [2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-3-hydroxy-propyl] (2s)-2-(benzyloxycarbonylamino)-3-methyl-butanoate

20. 2-((2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy)-3-hydroxypropyl ((benzyloxy)carbonyl)-l-valinate

21. N-benzyloxycarbonyl-l-valine 2-[(2-amino-1,6-dihydro-6-oxo-9h-purine-9-yl)methoxy]-3-hydroxypropyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 488.501 g/mol
Molecular Formula C22H28N6O7
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass488.202 g/mol
Monoisotopic Mass488.202 g/mol
Topological Polar Surface Area179 A^2
Heavy Atom Count35
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us