ML RR-S2 CDA disodium

CAT: 0926-BM176133-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-BM176133-01Size:1 mg

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CAS Number

1638750-95-4

Smiles

C1[C@@H]2[C@H] ([C@H] ([C@@H] (O2) N3C=NC4=C (N=CN=C43) N) OP (=S) (OC[C@@H]5[C@H] ([C@H] ([C@@H] (O5) N6C=NC7=C (N=CN=C76) N) O) OP (=S) (O1) [O-]) [O-]) O.[Na+].[Na+]

Molecular Formula

C20H22N10Na2O10P2S2

Molecular Weight

734.51 g/mol

Controlled

Chemical Information

ML RR-S2 CDA Sodium Salt

See also: Adu-s100 (annotation moved to).

CAS Number	1638750-95-4
PubChem CID	135390762
IUPAC Name	disodium;(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-12-oxido-3-oxo-12-sulfanylidene-3-sulfido-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
Molecular Formula	C20H22N10Na2O10P2S2
Molecular Weight	734.5
Topological Polar Surface Area	308
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	2
Heavy Atom Count	46
Formal Charge	0
Complexity	1180

SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=S)(O1)[O-])[S-])O.[Na+].[Na+]

InChI

InChI=1S/C20H24N10O10P2S2.2Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30;;/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26);;/q;2*+1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,41?,42?;;/m1../s1

InChIKey

GDWOOOCBNOMMTL-QYUKNOIISA-L

Chemical Structure

2D Structure

CAS: 1638750-95-4

CID: 135390762

Formula: C20H22N10Na2O10P2S2

MW: 734.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	734.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	2
Exact Mass	734.02324184
Monoisotopic Mass	734.02324184
Topological Polar Surface Area	308 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1180
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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PP40642-01	H-RR-OH
70R-10246	CDA antibody
FF171523	Fast blue RR salt
FM73136-01	Microcystin RR from algae
33R-8665	CDA Blocking Peptide
CRB1001195-01	S2-16

Alternative Products

Catalog	Name
TRC-M425160-25MG	ML-RR-S2-CDA Disodium Salt and ML-RS-S2-CDA Disodium Salt (Mixture of Diastereomers, 1:1)
TRC-M243885-2.5MG	ML RR-S2 CDA Sodium Salt
AR-N01203-01	Nebivolol Impurity 12 HCl (RR, RR)
HY-P0217	Microcystin-RR
TP2289	RR-src
MBS5815403	RR-RJW100
GTR19204911	RR-11a
GTR19240484-01	RR-11055
T202488-01	RR-49
ABC-TC0994	RR-CHOKI

ML RR-S2 CDA disodium

Chemical Information

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