Products for Research Use Only
RegisterLogin

SPDB-DM4

CAT: 0127-BIPG2182-03Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BIPG2182-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1626359-62-3
Purity
98%
Smiles
CC1C2CC (C (C=CC=C (CC3=CC (=C (C (=C3) OC) Cl) N (C (=O) CC (C4 (C1O4) C) OC (=O) C (C) N (C) C (=O) CCC (C) (C) SSCCCC (=O) ON5C (=O) CCC5=O) C) C) OC) (NC (=O) O2) O

Chemical Information

DM4-Spdb
CAS Number1626359-62-3
PubChem CID137699229
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate
Molecular FormulaC46H63ClN4O14S2
Molecular Weight995.6
XLogP2.9
Topological Polar Surface Area271
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count17
Heavy Atom Count67
Formal Charge0
Complexity1910
SMILES
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON5C(=O)CCC5=O)C)\C)OC)(NC(=O)O2)O
InChI
InChI=1S/C46H63ClN4O14S2/c1-26-13-11-14-33(61-10)46(59)25-32(62-43(58)48-46)27(2)41-45(6,64-41)34(24-38(55)50(8)30-22-29(21-26)23-31(60-9)40(30)47)63-42(57)28(3)49(7)35(52)18-19-44(4,5)67-66-20-12-15-39(56)65-51-36(53)16-17-37(51)54/h11,13-14,22-23,27-28,32-34,41,59H,12,15-21,24-25H2,1-10H3,(H,48,58)/b14-11-,26-13-/t27-,28+,32+,33-,34+,41+,45+,46+/m1/s1
InChIKey
LAVNQRWLLQGEIB-CUSRITNRSA-N
Chemical Structure
2D Structure
2D structure of DM4-Spdb
CAS: 1626359-62-3
CID: 137699229
Formula: C46H63ClN4O14S2
MW: 995.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight995.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count17
Exact Mass994.3470727
Monoisotopic Mass994.3470727
Topological Polar Surface Area271 Ų
Heavy Atom Count67
Formal Charge0
Complexity1910
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP09905-01SPDB
BUP04064-01DM4
BIPG2342-01DM4-S-S-Sulfo-NHS ester
BUP17998SPDP
BIPG2435-01DSPE-SPDP
OR1103179-01SPDP-PEG12-acid
BIPG1786-01SPDP-PEG6-acid
BIPG1785SPDP-PEG3-acid
BIPG1788-01SPDP-PEG6-NHS ester
OR1032004SPDP-PEG24-NHS ester

Alternative Products

CatalogName
TRC-S565030-10MGSPDB-DM4
MBS3845009-01sulfo-SPDB-DM4
A21413-5SPDB-DM4 5mg
A21413-1SPDB-DM4 1mg
A21413-50SPDB-DM4 50mg
A21413-10SPDB-DM4 10mg
A21413-100SPDB-DM4 100mg
A21413-25SPDB-DM4 25mg
HY-101141RSulfo-SPDB-DM4 (Standard)
A20566-50Sulfo-SPDB-DM4 50mg

Popular Products