 Home > Encyclopedia > (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl

(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl

(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl structure

CAS No:
166733-03-5
Formula:
C59H107N11O12
Chemical Name:
(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl
Synonyms:
Cyclosporin A,5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-(9CI); (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl; (D-MeVal(11),L-MeLeu(3-OH)1)CsA; [MeLeu(3-OH)1]-CsA,D-MeVal11 Derivative; Cyclosporin A,5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine);

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(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl Basic Attributes

Molecular Weight：

1162.55000

Exact Mass：

1161.81006789 g/mol

DSSTox ID：

DTXSID90168168

Characteristics

PSA：

292.76000

XLogP3：

2.99160

Density：

1.019g/cm3

Boiling Point：

1273.1ºC

Flash Point：

723.7ºC

Refractive Index：

1.464

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:1162.5
XLogP3:6.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:1161.81006789
Monoisotopic Mass:1161.81006789
Topological Polar Surface Area:279
Heavy Atom Count:82
Complexity:2220
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl

Basic Attributes
Characteristics
Computed Properties

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