3'-p-Hydroxy Paclitaxel

CAT: 0024-sc-214189ASize: 100 µgDry Ice: NoHazardous: No

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CAT#:0024-sc-214189ASize:100 µg

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CAS Number

132160-32-8

Chemical Information

3'-p-Hydroxypaclitaxel

metabolite of paclitaxel; structure in first source

CAS Number	132160-32-8
PubChem CID	3081785
IUPAC Name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Formula	C47H51NO15
Molecular Weight	869.9
XLogP	2.1
Topological Polar Surface Area	242
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	14
Heavy Atom Count	63
Formal Charge	0
Complexity	1830

SMILES

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=C(C=C5)O)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

InChI

InChI=1S/C47H51NO15/c1-24-31(61-43(57)36(53)35(27-17-19-30(51)20-18-27)48-41(55)28-13-9-7-10-14-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)50)39(54)37(60-25(2)49)34(24)44(47,4)5/h7-20,31-33,35-38,40,51-53,58H,21-23H2,1-6H3,(H,48,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

InChIKey

XKSMHFPSILYEIA-MZXODVADSA-N

Chemical Structure

2D Structure

CAS: 132160-32-8

CID: 3081785

Formula: C47H51NO15

MW: 869.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	869.9
XLogP3	2.1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	14
Exact Mass	869.32586992
Monoisotopic Mass	869.32586992
Topological Polar Surface Area	242 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1830
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-210577	6α-Hydroxy Paclitaxel
sc-214390	6α,3'-p-Dihydroxy Paclitaxel
sc-214390A	6α,3'-p-Dihydroxy Paclitaxel
sc-214390C	6α,3'-p-Dihydroxy Paclitaxel
sc-214390B	6α,3'-p-Dihydroxy Paclitaxel
sc-214390D	6α,3'-p-Dihydroxy Paclitaxel
sc-217406	6α-Hydroxy Paclitaxel-d5
sc-217409	6α,3'-p-Dihydroxy Paclitaxel-d5
sc-491210	2-m-Hydroxy (benzoyl) Paclitaxel
sc-507176	6α,3'-p-Dihydroxy Paclitaxel in Dimethyl Sulfoxide

Alternative Products

Catalog	Name
279170-01	3'-p-Hydroxy paclitaxel
TRC-H948895-1MG	3’-p-Hydroxy Paclitaxel
CS-EO-00583	3'-p-Hydroxy Paclitaxel-d5
HY-W740480	3'-p-Hydroxy paclitaxel-d5-1
TRC-KIT9864-1X1ML	3’-p-Hydroxy Paclitaxel (1mg/mL in Dimethyl Sulfoxide)
TRC-D204080-1MG	N-Debenzoyl-3’-p-O-benzyl-6Alpha-hydroxy Paclitaxel
TRC-D204080-2.5MG	N-Debenzoyl-3’-p-O-benzyl-6a-hydroxy Paclitaxel
T36896-01	6α-hydroxy Paclitaxel
279171	6a-Hydroxy Paclitaxel
MBS5797921	6alpha-hydroxy Paclitaxel

3'-p-Hydroxy Paclitaxel

Chemical Information

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