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(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0²,?]dodeca-8,11-dien-5-ol hydrochloride

(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0²,?]dodeca-8,11-dien-5-ol hydrochloride

CAS: 51391-96-9

Formula: C10H14ClN3O4

SMILES: Cl.[H][C@@]12OC3=NC(=N)C(C)=CN3[C@]1([H])O[C@H](CO)[C@H]2O

IUPAC: (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0²,?]dodeca-8,11-dien-5-ol hydrochloride

InChI: InChI=1S/C10H13N3O4.ClH/c1-4-2-13-9-7(6(15)5(3-14)16-9)17-10(13)12-8(4)11;/h2,5-7,9,11,14-15H,3H2,1H3;1H/t5-,6-,7+,9-;/m1./s1

Composition: C (43.57%), H (5.12%), Cl (12.86%), N (15.24%), O (23.21%)

Molar Mass: 275.69

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 275.0672836
Formal Charge 0
FSP3 0.6
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey NTLAKIOXMNOMIC-HSMTUSTJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.8
Topological Polar Surface Area 98.37
Polarizability 22.1
Ring Count 3
Rotatable Bond Count 1

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95% <5 Days 51391-96-9 $480.00-$504.00$480.00$504.00
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