Chemfused Chemfused

(-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide

IUPAC: ethyl 12-[[2-[(2R,3R)-3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yl]oxyacetyl]-methylamino]dodecanoate

CAS 58801-34-6
C38H72N2O8

(-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide (CAS 58801-34-6) is a chemical compound with molecular formula C38H72N2O8 and molecular weight 685 g/mol .

What is (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide?

Molecular Formula
C38H72N2O8
Molecular Weight
685.00 g/mol

Description

Calcium ionophore I is an organic molecular entity. It has a role as a calcium ionophore.

Structure Identifiers

SMILES
CCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C38H72N2O8/c1-7-45-37(43)27-23-19-15-11-9-13-17-21-25-29-39(5)35(41)31-47-33(3)34(4)48-32-36(42)40(6)30-26-22-18-14-10-12-16-20-24-28-38(44)46-8-2/h33-34H,7-32H2,1-6H3/t33-,34-/m1/s1
InChIKey
CJAONIOAQZUHPN-KKLWWLSJSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
684.5289 Da
XLogP
8.90
TPSA
112.0 Ų
H-Bond Donors
0
H-Bond Acceptors
8
Complexity
759
Formal Charge
0

Safety information

No safety data available for this chemical.

Synonyms (25)

  • D96064
  • CA-1001
  • AS-56050
  • Eth 1001
  • ETH-1001
  • EX-A6685
  • FC141742
  • 261-449-8
  • HY-136460
  • 58801-34-6
  • C38H72N2O8
  • CS-0129640
  • orb2279155
  • CHEBI:233049
  • MFCD00042943
  • AKOS015896894
  • SCHEMBL678280
  • RefChem:905527
  • Calcium ionophore I
  • calcium-ionophore i
  • Calcium ionophore I, Selectophore(TM), function tested, >=99.0%
  • (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide
  • Diethyl (17R,18R)-13,17,18,22-tetramethyl-14,21-dioxo-16,19-dioxa-13,22-diazatetratriacontanedioate
  • 16,19-Dioxa-13,22-diazatetratriacontanedioic acid, 13,17,18,22-tetramethyl-14,21-dioxo-, diethyl ester, (R-(R*,R*))-
  • ethyl 12-[[2-[(1R,2R)-2-[2-[(12-ethoxy-12-oxo-dodecyl)-methyl-amino]-2-oxo-ethoxy]-1-methyl-propoxy]acetyl]-methyl-amino]dodecanoate

Frequently asked questions

What is the CAS number of (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide?

The CAS Registry Number for (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide is 58801-34-6.

What is the IUPAC name of (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide?

The IUPAC name of (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide is ethyl 12-[[2-[(2R,3R)-3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yl]oxyacetyl]-methylamino]dodecanoate.

What is the molecular formula of (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide?

(-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide has the molecular formula C38H72N2O8 and a molecular weight of 685 g/mol.

What is the SMILES notation for (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide?

The SMILES notation for (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide is CCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC.

What are other names for (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide?

(-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide is also known as (-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide, 16,19-Dioxa-13,22-diazatetratriacontanedioic acid, 13,17,18,22-tetramethyl-14,21-dioxo-, diethyl ester, (R-(R*,R*))-, 261-449-8, 58801-34-6, AKOS015896894.

Data sourced from PubChem CID 14009349. Last updated .

Request a Quote

Submit an enquiry for CAS 58801-34-6 and we'll connect you with suppliers.

Name
Email
Quantity
Note

Suppliers

No suppliers listed yet.

Are you a supplier of this chemical? Claim your listing

Choose suppliers to contact
Your enquiry will be sent to every supplier you tick below. Suppliers operating in multiple countries appear in each of their countries but only receive one request.
Coming soon
This feature isn't ready just yet. Check back soon.