Gentamicin C1a

CAT: 1596-AR-G01680-01Size: 250 UnitsDry Ice: NoHazardous: No

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CAS Number

26098-04-4

Synonyms

(2R,3R,4R,5R) -2- (((1S,2S,3R,4S,6R) -4,6-diamino-3- (((2R,3R,6S) -3-amino-6- (aminomethyl) tetrahydro-2H-pyran-2-yl) oxy) -2-hydroxycyclohexyl) oxy) -5-methyl-4- (methylamino) tetrahydro-2H-pyran-3,5-diol; O-3-Deoxy-4-C-methyl-3- (methylamino) -β-L-arabinopyranosyl- (1-6) -O-[2,6-diamino2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl- (1-4) ]-2-deoxy-D-streptamine

Molecular Formula

C19H39N5O7

Molecular Weight

449.55

API Name

Gentamicin

Chemical Information

Gentamicin C1A

Gentamycin C1a is a gentamycin C. It is a conjugate base of a gentamycin C1a(5+).

CAS Number	26098-04-4
PubChem CID	72396
IUPAC Name	(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Molecular Formula	C19H39N5O7
Molecular Weight	449.5
XLogP	-5
Topological Polar Surface Area	214
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	592

SMILES

C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O

InChI

InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1

InChIKey

VEGXETMJINRLTH-BOZYPMBZSA-N

Chemical Structure

2D Structure

CAS: 26098-04-4

CID: 72396

Formula: C19H39N5O7

MW: 449.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	449.5
XLogP3	-5
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	449.28494860
Monoisotopic Mass	449.28494860
Topological Polar Surface Area	214 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	592
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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