34-Hydroxy Sirolimus

CAT: 1134-ESS0312-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1134-ESS0312-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

185107-79-3

Structure Composition

C 65.71% H 8.76% N 1.50% O 24.03%

Synonyms

34-Hydroxy Rapamycin, Secorapamycin B

UDF Signal Word

NONE

Hazard Statement

Not dangerous goods.

Applications

Sirolimus (Rapamycin) Impurity

Molecular Formula

C51H81NO14

Molecular Weight

932.21252

Packaging Group

Not Available. Not dangerous goods.

Shipping Conditions

Room temerature

Storage Conditions

Freezer @ -20ºC

Hazardous Class

Not dangerous goods.

Chemical Information

Secorapamycin B

CAS Number	185107-79-3
PubChem CID	102533263
IUPAC Name	(2S)-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,20S,21R)-14,20-dihydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15-tetraenyl]-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylic acid
Molecular Formula	C51H81NO14
Molecular Weight	932.2
XLogP	6.4
Topological Polar Surface Area	227
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	25
Heavy Atom Count	66
Formal Charge	0
Complexity	1740

SMILES

C[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O)O)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)C[C@@H]([C@H](C)C[C@@H]3CC[C@H]([C@@H](C3)OC)O)O)/C)O)OC)/C)OC

InChI

InChI=1S/C51H81NO14/c1-30(24-34(5)45(56)47(65-10)46(57)35(6)25-32(3)41(54)29-42(55)33(4)26-37-20-22-40(53)44(27-37)64-9)16-12-11-13-17-31(2)43(63-8)28-38-21-19-36(7)51(62,66-38)48(58)49(59)52-23-15-14-18-39(52)50(60)61/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,55,57,62H,14-15,18-24,26-29H2,1-10H3,(H,60,61)/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1

InChIKey

HAZKEXYMOCBCBG-HPLJOQBZSA-N

Chemical Structure

2D Structure

CAS: 185107-79-3

CID: 102533263

Formula: C51H81NO14

MW: 932.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	932.2
XLogP3	6.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	25
Exact Mass	931.56570626
Monoisotopic Mass	931.56570626
Topological Polar Surface Area	227 Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	1740
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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